 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer06_STD_M11_augccpVDZ.in
 Output=31_naproxen_conformer06_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-20810.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20815.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer06_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:17:52 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer06_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.567529000000     -0.314210000000      0.221267000000
  C                                                 1.116501000000      0.958834000000     -0.121705000000
  C                                                -0.832468000000     -0.452394000000      0.346989000000
  C                                                -1.683696000000      0.608480000000      0.142165000000
  C                                                -1.129092000000      1.866387000000     -0.201361000000
  C                                                 0.222901000000      2.038684000000     -0.327975000000
  C                                                 1.454755000000     -1.393161000000      0.424360000000
  H                                                -1.231675000000     -1.426463000000      0.608205000000
  H                                                -1.795403000000      2.705320000000     -0.363172000000
  H                                                 0.626528000000      3.008752000000     -0.590297000000
  C                                                -3.181225000000      0.455073000000      0.309625000000
  C                                                -3.596004000000      0.302981000000      1.774735000000
  C                                                -3.777838000000     -0.669365000000     -0.546498000000
  H                                                -3.650918000000      1.363909000000     -0.084442000000
  H                                                -3.157853000000     -0.597186000000      2.206387000000
  H                                                -4.678109000000      0.225656000000      1.860053000000
  H                                                -3.249256000000      1.161577000000      2.349930000000
  O                                                -4.726990000000     -1.325156000000     -0.223619000000
  O                                                -3.202213000000     -0.855212000000     -1.757282000000
  H                                                -2.391116000000     -0.328302000000     -1.815758000000
  C                                                 2.811014000000     -1.236817000000      0.299275000000
  C                                                 3.349389000000      0.027072000000     -0.040677000000
  C                                                 2.511206000000      1.099868000000     -0.246327000000
  O                                                 4.681594000000      0.258681000000     -0.182443000000
  C                                                 5.589463000000     -0.812553000000      0.016953000000
  H                                                 1.048620000000     -2.363129000000      0.683601000000
  H                                                 3.460822000000     -2.083374000000      0.461722000000
  H                                                 2.940663000000      2.058592000000     -0.506194000000
  H                                                 5.415680000000     -1.623094000000     -0.696322000000
  H                                                 5.528037000000     -1.205433000000      1.035691000000
  H                                                 6.580248000000     -0.396589000000     -0.147622000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:17:52 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.428160   0.000000
     3  C    1.412407   2.451473   0.000000
     4  C    2.434261   2.834339   1.375498   0.000000
     5  C    2.795021   2.423362   2.401129   1.417013   0.000000
     6  C    2.440603   1.416737   2.788342   2.429326   1.368796
     7  C    1.411578   2.438131   2.474352   3.733105   4.206239
     8  H    2.150340   3.425834   1.084625   2.136003   3.392460
     9  H    3.878476   3.404072   3.376793   2.159764   1.083495
    10  H    3.421139   2.159124   3.871267   3.411003   2.130369
    11  C    3.827892   4.348594   2.518244   1.514652   2.542472
    12  C    4.486557   5.121946   3.200966   2.532891   3.526308
    13  C    4.426942   5.175523   3.085547   2.548053   3.683071
    14  H    4.550257   4.784742   3.380643   2.119431   2.574055
    15  H    4.230750   5.109923   2.980896   2.808520   3.997789
    16  H    5.522119   6.167854   4.187848   3.473356   4.420062
    17  H    4.612700   5.020948   3.529524   2.762448   3.391303
    18  O    5.408499   6.274821   4.031700   3.624139   4.809502
    19  O    4.291654   4.961569   3.194669   2.838342   3.758433
    20  H    3.592109   4.102428   2.668756   2.282864   3.002606
    21  C    2.427038   2.805260   3.727272   4.861298   5.040332
    22  C    2.814930   2.420854   4.227068   5.069853   4.844140
    23  C    2.448702   1.407346   3.733858   4.241414   3.720396
    24  O    4.173334   3.633702   5.584873   6.383153   6.029025
    25  C    5.050734   4.812944   6.440484   7.411738   7.236253
    26  H    2.154825   3.418854   2.702352   4.072980   4.838842
    27  H    3.399839   3.884747   4.594083   5.815003   6.091601
    28  H    3.433825   2.164455   4.611886   4.889570   4.085679
    29  H    5.104872   5.047720   6.441924   7.488933   7.433405
    30  H    5.105311   5.048293   6.441848   7.489844   7.435304
    31  H    6.024588   5.629420   7.429409   8.329881   8.034791
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723041   0.000000
     8  H    3.872915   2.692919   0.000000
     9  H    2.125839   5.289733   4.281704   0.000000
    10  H    1.082940   4.592638   4.955851   2.451409   0.000000
    11  C    3.808206   4.992138   2.725816   2.727044   4.672271
    12  C    4.692344   5.496415   3.153065   3.685654   5.544759
    13  C    4.836031   5.370891   2.896460   3.918183   5.738371
    14  H    3.939683   5.824793   3.757482   2.306515   4.610634
    15  H    4.979990   5.008528   2.636674   4.400619   5.928387
    16  H    5.665195   6.503369   4.021757   4.404708   6.472172
    17  H    4.471730   5.688781   3.715130   3.443509   5.203719
    18  O    5.985627   6.215985   3.594360   4.985821   6.897635
    19  O    4.706268   5.170716   3.131274   4.074315   5.563392
    20  H    3.827428   4.576328   2.902733   3.415808   4.663031
    21  C    4.221455   1.370959   4.058908   6.099046   4.856766
    22  C    3.728814   2.413081   4.849738   5.809122   4.075104
    23  C    2.474749   2.789463   4.595838   4.597609   2.704471
    24  O    4.803075   3.675497   6.199321   6.926052   4.916584
    25  C    6.086749   4.195104   6.874183   8.188783   6.293000
    26  H    4.591411   1.083046   2.466328   5.905368   5.536974
    27  H    5.300860   2.121814   4.740519   7.158208   5.921969
    28  H    2.723672   3.871492   5.549405   4.782158   2.503018
    29  H    6.364688   4.122830   6.777004   8.416999   6.663424
    30  H    6.366188   4.123178   6.776821   8.419239   6.665432
    31  H    6.810209   5.252713   7.915684   8.934194   6.873070
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530268   0.000000
    13  C    1.534032   2.523221   0.000000
    14  H    1.096304   2.141290   2.088973   0.000000
    15  H    2.169217   1.090230   2.822759   3.055635   0.000000
    16  H    2.167284   1.088214   2.720852   2.476248   1.763007
    17  H    2.160236   1.090078   3.467138   2.475568   1.766977
    18  O    2.417220   2.814850   1.197999   2.899719   2.982794
    19  O    2.447323   3.737864   1.353470   2.815001   3.972306
    20  H    2.399000   3.839520   1.910587   2.729127   4.103393
    21  C    6.226518   6.752617   6.667106   6.976215   6.298696
    22  C    6.553992   7.184033   7.179014   7.126945   6.912539
    23  C    5.755746   6.482109   6.540058   6.169902   6.405781
    24  O    7.880649   8.505947   8.517969   8.406063   8.239900
    25  C    8.866651   9.418440   9.385324   9.493783   9.019731
    26  H    5.096441   5.465460   5.260863   6.047012   4.809558
    27  H    7.112217   7.564224   7.444067   7.922052   7.004247
    28  H    6.380779   7.142326   7.251319   6.641491   7.183533
    29  H    8.901544   9.540772   9.244069   9.565552   9.109538
    30  H    8.895825   9.277372   9.454629   9.597366   8.785510
    31  H    9.809218  10.379834  10.369352  10.381720  10.020589
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776949   0.000000
    18  O    2.597902   3.871782   0.000000
    19  O    4.053598   4.575898   2.213123   0.000000
    20  H    4.364492   4.506562   2.997488   0.968985   0.000000
    21  C    7.788570   6.832595   7.556635   6.366628   5.688666
    22  C    8.251844   7.109446   8.190842   6.829981   6.019186
    23  C    7.542369   6.318804   7.633658   6.224828   5.341867
    24  O    9.580027   8.374158   9.541053   8.116359   7.282547
    25  C   10.483221   9.352161  10.331981   8.969019   8.202620
    26  H    6.393846   5.802753   5.937854   5.128480   4.713714
    27  H    8.574914   7.688965   8.251355   7.129404   6.520151
    28  H    8.185626   6.875840   8.385851   6.913060   5.986659
    29  H   10.575325   9.597664  10.158050   8.716843   7.992227
    30  H   10.338907   9.185360  10.332752   9.172820   8.462453
    31  H   11.452884  10.260838  11.345556   9.924610   9.125388
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.415214   0.000000
    23  C    2.418194   1.376857   0.000000
    24  O    2.442875   1.359599   2.328575   0.000000
    25  C    2.824798   2.392953   3.633502   1.418283   0.000000
    26  H    2.126574   3.395759   3.872502   4.563159   4.844374
    27  H    1.079490   2.172281   3.396488   2.718539   2.518714
    28  H    3.394895   2.123873   1.082181   2.524943   3.941230
    29  H    2.815086   2.724422   4.006618   2.084234   1.093590
    30  H    2.815228   2.724728   4.007400   2.084214   1.093597
    31  H    3.887522   3.260272   4.336615   2.008850   1.087091
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438486   0.000000
    28  H    4.954499   4.285243   0.000000
    29  H    4.639294   2.318274   4.440346   0.000000
    30  H    4.639979   2.318102   4.441371   1.785199   0.000000
    31  H    5.929344   3.598244   4.404891   1.778090   1.778091
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3057598           0.2090469           0.1973322
 Leave Link  202 at Thu Aug 12 21:17:53 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.4648957289 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:17:55 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.10D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.91D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 21:17:57 2021, MaxMem=  5368709120 cpu:               9.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:17:57 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer06_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:17:59 2021, MaxMem=  5368709120 cpu:              11.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.253426118459    
 DIIS: error= 2.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.253426118459     IErMin= 1 ErrMin= 2.97D-03
 ErrMax= 2.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-02 BMatP= 2.15D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.311 Goal=   None    Shift=    0.000
 GapD=    0.311 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.68D-02 MaxDP=7.09D+00              OVMax= 1.92D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.61D-02    CP:  1.69D+00
 E= -767.273662595473     Delta-E=       -0.020236477014 Rises=F Damp=F
 DIIS: error= 6.40D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.273662595473     IErMin= 2 ErrMin= 6.40D-04
 ErrMax= 6.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.95D-04 BMatP= 2.15D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.40D-03
 Coeff-Com:  0.508D-02 0.995D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.505D-02 0.995D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=1.57D-02 MaxDP=1.32D+00 DE=-2.02D-02 OVMax= 9.21D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.97D-03    CP:  1.82D+00  1.18D+00
 E= -767.274151815891     Delta-E=       -0.000489220417 Rises=F Damp=F
 DIIS: error= 5.87D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.274151815891     IErMin= 3 ErrMin= 5.87D-04
 ErrMax= 5.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.33D-04 BMatP= 9.95D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.87D-03
 Coeff-Com: -0.468D-01 0.510D+00 0.537D+00
 Coeff-En:   0.000D+00 0.252D+00 0.748D+00
 Coeff:     -0.465D-01 0.508D+00 0.538D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.78D-03 MaxDP=1.54D-01 DE=-4.89D-04 OVMax= 4.37D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.36D-04    CP:  1.83D+00  1.19D+00  1.12D+00
 E= -767.274775902897     Delta-E=       -0.000624087006 Rises=F Damp=F
 DIIS: error= 7.19D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.274775902897     IErMin= 4 ErrMin= 7.19D-05
 ErrMax= 7.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-05 BMatP= 9.33D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.724D-02 0.359D-02 0.905D-01 0.913D+00
 Coeff:     -0.724D-02 0.359D-02 0.905D-01 0.913D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=4.29D-04 MaxDP=3.09D-02 DE=-6.24D-04 OVMax= 1.52D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.28D-04    CP:  1.83D+00  1.20D+00  1.18D+00  1.46D+00
 E= -767.274797701002     Delta-E=       -0.000021798105 Rises=F Damp=F
 DIIS: error= 4.62D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.274797701002     IErMin= 5 ErrMin= 4.62D-05
 ErrMax= 4.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.29D-06 BMatP= 1.68D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-02-0.486D-01-0.189D-01 0.408D+00 0.658D+00
 Coeff:      0.151D-02-0.486D-01-0.189D-01 0.408D+00 0.658D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=8.92D-05 MaxDP=6.02D-03 DE=-2.18D-05 OVMax= 7.12D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.43D-05    CP:  1.83D+00  1.20D+00  1.20D+00  1.58D+00  1.22D+00
 E= -767.274803246995     Delta-E=       -0.000005545993 Rises=F Damp=F
 DIIS: error= 1.74D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.274803246995     IErMin= 6 ErrMin= 1.74D-05
 ErrMax= 1.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.57D-07 BMatP= 5.29D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-02-0.206D-01-0.236D-01 0.338D-01 0.264D+00 0.745D+00
 Coeff:      0.174D-02-0.206D-01-0.236D-01 0.338D-01 0.264D+00 0.745D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=5.71D-05 MaxDP=5.06D-03 DE=-5.55D-06 OVMax= 3.72D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.85D-05    CP:  1.83D+00  1.19D+00  1.20D+00  1.61D+00  1.32D+00
                    CP:  1.38D+00
 E= -767.274804199213     Delta-E=       -0.000000952219 Rises=F Damp=F
 DIIS: error= 7.77D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.274804199213     IErMin= 7 ErrMin= 7.77D-06
 ErrMax= 7.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.88D-08 BMatP= 6.57D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.304D-03 0.158D-02-0.446D-02-0.565D-01-0.246D-01 0.227D+00
 Coeff-Com:  0.857D+00
 Coeff:      0.304D-03 0.158D-02-0.446D-02-0.565D-01-0.246D-01 0.227D+00
 Coeff:      0.857D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.28D-05 MaxDP=2.30D-03 DE=-9.52D-07 OVMax= 2.16D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.56D-06    CP:  1.83D+00  1.19D+00  1.19D+00  1.62D+00  1.36D+00
                    CP:  1.53D+00  1.56D+00
 E= -767.274804401441     Delta-E=       -0.000000202228 Rises=F Damp=F
 DIIS: error= 3.47D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.274804401441     IErMin= 8 ErrMin= 3.47D-06
 ErrMax= 3.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-08 BMatP= 7.88D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.202D-03 0.359D-02 0.287D-02-0.188D-01-0.467D-01-0.665D-01
 Coeff-Com:  0.208D+00 0.918D+00
 Coeff:     -0.202D-03 0.359D-02 0.287D-02-0.188D-01-0.467D-01-0.665D-01
 Coeff:      0.208D+00 0.918D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.10D-05 MaxDP=5.70D-04 DE=-2.02D-07 OVMax= 1.04D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.55D-06    CP:  1.83D+00  1.19D+00  1.19D+00  1.61D+00  1.36D+00
                    CP:  1.63D+00  1.73D+00  1.45D+00
 E= -767.274804435579     Delta-E=       -0.000000034138 Rises=F Damp=F
 DIIS: error= 1.12D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.274804435579     IErMin= 9 ErrMin= 1.12D-06
 ErrMax= 1.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-09 BMatP= 1.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-03 0.103D-02 0.172D-02 0.862D-03-0.139D-01-0.580D-01
 Coeff-Com: -0.431D-01 0.362D+00 0.750D+00
 Coeff:     -0.108D-03 0.103D-02 0.172D-02 0.862D-03-0.139D-01-0.580D-01
 Coeff:     -0.431D-01 0.362D+00 0.750D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.09D-06 MaxDP=2.42D-04 DE=-3.41D-08 OVMax= 3.41D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.20D-06    CP:  1.83D+00  1.19D+00  1.19D+00  1.61D+00  1.35D+00
                    CP:  1.64D+00  1.79D+00  1.61D+00  1.33D+00
 E= -767.274804440269     Delta-E=       -0.000000004690 Rises=F Damp=F
 DIIS: error= 4.53D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.274804440269     IErMin=10 ErrMin= 4.53D-07
 ErrMax= 4.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-10 BMatP= 2.41D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.976D-06-0.294D-03 0.420D-04 0.343D-02 0.402D-02-0.405D-02
 Coeff-Com: -0.458D-01-0.659D-01 0.174D+00 0.934D+00
 Coeff:      0.976D-06-0.294D-03 0.420D-04 0.343D-02 0.402D-02-0.405D-02
 Coeff:     -0.458D-01-0.659D-01 0.174D+00 0.934D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=2.23D-06 MaxDP=2.54D-04 DE=-4.69D-09 OVMax= 1.55D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.98D-07    CP:  1.83D+00  1.19D+00  1.19D+00  1.61D+00  1.35D+00
                    CP:  1.65D+00  1.81D+00  1.68D+00  1.50D+00  1.42D+00
 E= -767.274804441309     Delta-E=       -0.000000001040 Rises=F Damp=F
 DIIS: error= 1.41D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.274804441309     IErMin=11 ErrMin= 1.41D-07
 ErrMax= 1.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-11 BMatP= 2.36D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.125D-04-0.225D-03-0.179D-03 0.119D-02 0.298D-02 0.500D-02
 Coeff-Com: -0.117D-01-0.623D-01-0.238D-01 0.330D+00 0.759D+00
 Coeff:      0.125D-04-0.225D-03-0.179D-03 0.119D-02 0.298D-02 0.500D-02
 Coeff:     -0.117D-01-0.623D-01-0.238D-01 0.330D+00 0.759D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=5.23D-07 MaxDP=6.14D-05 DE=-1.04D-09 OVMax= 3.38D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.77D-07    CP:  1.83D+00  1.19D+00  1.19D+00  1.61D+00  1.35D+00
                    CP:  1.65D+00  1.81D+00  1.69D+00  1.55D+00  1.52D+00
                    CP:  1.27D+00
 E= -767.274804441181     Delta-E=        0.000000000128 Rises=F Damp=F
 DIIS: error= 5.09D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.274804441309     IErMin=12 ErrMin= 5.09D-08
 ErrMax= 5.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-12 BMatP= 3.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.305D-05-0.193D-04-0.555D-04-0.151D-03 0.213D-03 0.199D-02
 Coeff-Com:  0.324D-02-0.708D-02-0.318D-01-0.332D-01 0.208D+00 0.859D+00
 Coeff:      0.305D-05-0.193D-04-0.555D-04-0.151D-03 0.213D-03 0.199D-02
 Coeff:      0.324D-02-0.708D-02-0.318D-01-0.332D-01 0.208D+00 0.859D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.78D-07 MaxDP=1.57D-05 DE= 1.28D-10 OVMax= 1.34D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.43D-08    CP:  1.83D+00  1.19D+00  1.19D+00  1.61D+00  1.35D+00
                    CP:  1.65D+00  1.81D+00  1.69D+00  1.56D+00  1.56D+00
                    CP:  1.40D+00  1.26D+00
 E= -767.274804441129     Delta-E=        0.000000000053 Rises=F Damp=F
 DIIS: error= 2.06D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -767.274804441309     IErMin=13 ErrMin= 2.06D-08
 ErrMax= 2.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.87D-13 BMatP= 3.59D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.408D-06 0.177D-04 0.155D-05-0.165D-03-0.256D-03 0.106D-03
 Coeff-Com:  0.203D-02 0.443D-02-0.760D-02-0.426D-01-0.228D-01 0.248D+00
 Coeff-Com:  0.819D+00
 Coeff:     -0.408D-06 0.177D-04 0.155D-05-0.165D-03-0.256D-03 0.106D-03
 Coeff:      0.203D-02 0.443D-02-0.760D-02-0.426D-01-0.228D-01 0.248D+00
 Coeff:      0.819D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=7.74D-08 MaxDP=8.37D-06 DE= 5.25D-11 OVMax= 6.25D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.91D-08    CP:  1.83D+00  1.19D+00  1.19D+00  1.61D+00  1.35D+00
                    CP:  1.65D+00  1.81D+00  1.69D+00  1.56D+00  1.57D+00
                    CP:  1.44D+00  1.39D+00  1.27D+00
 E= -767.274804441126     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 1.01D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -767.274804441309     IErMin=14 ErrMin= 1.01D-08
 ErrMax= 1.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.67D-14 BMatP= 4.87D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.634D-06 0.929D-05 0.952D-05-0.340D-04-0.131D-03-0.272D-03
 Coeff-Com:  0.196D-03 0.270D-02 0.210D-02-0.956D-02-0.407D-01-0.447D-01
 Coeff-Com:  0.275D+00 0.816D+00
 Coeff:     -0.634D-06 0.929D-05 0.952D-05-0.340D-04-0.131D-03-0.272D-03
 Coeff:      0.196D-03 0.270D-02 0.210D-02-0.956D-02-0.407D-01-0.447D-01
 Coeff:      0.275D+00 0.816D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=2.95D-08 MaxDP=3.28D-06 DE= 3.18D-12 OVMax= 3.37D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  1.83D+00  1.19D+00  1.19D+00  1.61D+00  1.35D+00
                    CP:  1.65D+00  1.81D+00  1.69D+00  1.56D+00  1.57D+00
                    CP:  1.45D+00  1.44D+00  1.40D+00  1.40D+00
 E= -767.274804441323     Delta-E=       -0.000000000197 Rises=F Damp=F
 DIIS: error= 8.06D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -767.274804441323     IErMin=15 ErrMin= 8.06D-09
 ErrMax= 8.06D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-14 BMatP= 9.67D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.433D-07-0.319D-05 0.627D-06 0.341D-04 0.419D-04-0.494D-04
 Coeff-Com: -0.429D-03-0.731D-03 0.191D-02 0.895D-02 0.732D-03-0.587D-01
 Coeff-Com: -0.168D+00 0.914D-01 0.112D+01
 Coeff:      0.433D-07-0.319D-05 0.627D-06 0.341D-04 0.419D-04-0.494D-04
 Coeff:     -0.429D-03-0.731D-03 0.191D-02 0.895D-02 0.732D-03-0.587D-01
 Coeff:     -0.168D+00 0.914D-01 0.112D+01
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=1.72D-08 MaxDP=8.49D-07 DE=-1.97D-10 OVMax= 3.10D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  8.17D-09    CP:  1.83D+00  1.19D+00  1.19D+00  1.61D+00  1.35D+00
                    CP:  1.65D+00  1.81D+00  1.69D+00  1.56D+00  1.56D+00
                    CP:  1.45D+00  1.46D+00  1.47D+00  1.71D+00  1.49D+00
 E= -767.274804441033     Delta-E=        0.000000000289 Rises=F Damp=F
 DIIS: error= 3.34D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -767.274804441323     IErMin=16 ErrMin= 3.34D-09
 ErrMax= 3.34D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.50D-15 BMatP= 1.74D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-7.04D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.138D-05-0.519D-06 0.124D-04 0.240D-04 0.163D-04-0.113D-03
 Coeff-Com: -0.498D-03 0.203D-03 0.319D-02 0.626D-02-0.297D-02-0.830D-01
 Coeff-Com: -0.129D+00 0.225D+00 0.981D+00
 Coeff:     -0.138D-05-0.519D-06 0.124D-04 0.240D-04 0.163D-04-0.113D-03
 Coeff:     -0.498D-03 0.203D-03 0.319D-02 0.626D-02-0.297D-02-0.830D-01
 Coeff:     -0.129D+00 0.225D+00 0.981D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=8.76D-09 MaxDP=6.37D-07 DE= 2.89D-10 OVMax= 1.23D-07

 SCF Done:  E(RM11) =  -767.274804441     A.U. after   16 cycles
            NFock= 16  Conv=0.88D-08     -V/T= 2.0063
 KE= 7.624617040003D+02 PE=-4.055614659837D+03 EE= 1.391413255667D+03
 Leave Link  502 at Thu Aug 12 21:48:51 2021, MaxMem=  5368709120 cpu:           14793.1 elap:            1851.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.12294512D+03

 Leave Link  801 at Thu Aug 12 21:48:52 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 4.15D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.00D-01 8.11D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 4.59D-02 9.42D-02.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 6.50D-03 2.65D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.45D-03 8.19D-03.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 2.13D-04 3.78D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 1.34D-05 6.00D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 7.10D-07 1.33D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 4.58D-08 3.00D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 1.41D-09 4.24D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 4.79D-11 7.17D-07.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 1.81D-12 1.42D-07.
      6 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.10D-13 2.57D-08.
      3 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 4.88D-14 1.25D-08.
      1 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 3.67D-14 8.66D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   139 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.296682D+03
      2 -0.169815D+02  0.177762D+03
      3 -0.796957D+01 -0.111021D+02  0.124112D+03
 Isotropic polarizability for W=    0.088559      199.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.364860D+03 -0.185782D+03  0.169588D+02
      2  -0.180828D+03  0.146716D+03 -0.506850D+02
      3  -0.184032D+03  0.390654D+02  0.337262D+02
      4  -0.109125D+03  0.101245D+03 -0.434899D+02
      5   0.801010D+02 -0.527285D+02 -0.488686D+02
      6  -0.174926D+02  0.163040D+02 -0.313539D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.576881D+01  0.210916D+02 -0.299058D+01
      2  -0.174433D+01 -0.158693D+02 -0.245765D+02
      3   0.129615D+03 -0.569543D+02  0.194564D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.923856D+01  0.669890D+02  0.422007D+02
      2  -0.631422D+02 -0.259974D+02  0.135164D+03
      3   0.766568D+02 -0.282073D+03  0.352359D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.516076D+00 -0.435596D+01 -0.167988D+02
      2  -0.435596D+01  0.344447D+00  0.201910D+01
      3  -0.167988D+02  0.201910D+01 -0.201005D+01
 OR G Eigenvalues:   -18.2127    -0.7802    16.8112  Iso=     0.7272
 Eigenvectors:
   (1)   0.696983   0.086147   0.711894
   (2)   0.133433   0.959839  -0.246790
   (3)   0.704564  -0.266998  -0.657497
 w=    0.088559 a.u., Optical Rotation Beta=      0.7272 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      160.15 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 5.91D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.05D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 2.82D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 5.01D-02 3.67D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 7.41D-03 1.53D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 2.48D-04 2.77D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 8.70D-06 2.91D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 2.06D-07 3.99D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 3.46D-09 4.97D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 5.88D-11 6.91D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 9.23D-13 7.37D-08.
     12 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 3.62D-14 1.27D-08.
      5 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 8.17D-14 1.71D-08.
      2 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 5.32D-14 1.67D-08.
      2 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 4.05D-15 3.80D-09.
      1 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 1.67D-15 3.73D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   292 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.24D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.24D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.01D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.296682D+03 -0.169815D+02 -0.796957D+01
      2  -0.169815D+02  0.177762D+03 -0.111021D+02
      3  -0.796957D+01 -0.111021D+02  0.124112D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.576881D+01  0.210916D+02 -0.299058D+01
      2  -0.174433D+01 -0.158693D+02 -0.245765D+02
      3   0.129615D+03 -0.569543D+02  0.194564D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.364860D+03 -0.185782D+03  0.169588D+02
      2  -0.180828D+03  0.146716D+03 -0.506850D+02
      3  -0.184032D+03  0.390654D+02  0.337262D+02
      4  -0.109125D+03  0.101245D+03 -0.434899D+02
      5   0.801010D+02 -0.527285D+02 -0.488686D+02
      6  -0.174926D+02  0.163040D+02 -0.313539D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.401138D+02  0.119287D+02 -0.653978D+00 -0.389266D+02  0.819170D+01
      2   0.119287D+02 -0.766535D+01  0.107935D+01  0.819170D+01 -0.644023D+01
      3  -0.653978D+00  0.107935D+01 -0.131345D+00  0.424481D-01  0.942152D+00
                 6             7             8             9            10 
      1   0.424481D-01  0.121113D+02 -0.309335D+01 -0.105393D+01  0.379910D+02
      2   0.942152D+00 -0.309335D+01  0.168223D+01 -0.111290D+01 -0.116703D+02
      3   0.939434D-01 -0.105393D+01 -0.111290D+01  0.569500D+00  0.468084D+00
                11            12            13            14            15 
      1  -0.116703D+02  0.468084D+00  0.423722D+02 -0.933372D+01  0.129694D+00
      2   0.384006D+01 -0.221682D+00 -0.933372D+01  0.881492D+01 -0.145020D+01
      3  -0.221682D+00 -0.130720D+00  0.129694D+00 -0.145020D+01 -0.798907D-01
                16            17            18            19            20 
      1  -0.125355D+02  0.323661D+01  0.741475D+00  0.398365D+02 -0.117937D+02
      2   0.323661D+01 -0.195024D+01  0.123562D+01 -0.117937D+02  0.110598D+02
      3   0.741475D+00  0.123562D+01 -0.366082D+00  0.728983D+00 -0.210737D+01
                21            22            23            24            25 
      1   0.728983D+00 -0.200594D+02  0.409047D+01 -0.378063D+00  0.302085D+01
      2  -0.210737D+01  0.409047D+01 -0.756290D+01  0.387539D+00 -0.793913D+00
      3   0.540878D+00 -0.378063D+00  0.387539D+00 -0.165436D+01 -0.457711D+00
                26            27            28            29            30 
      1  -0.793913D+00 -0.457711D+00 -0.440023D+02  0.661356D+01  0.507453D+00
      2  -0.451767D+00 -0.283307D+01  0.661356D+01 -0.437717D+01  0.710017D-01
      3  -0.283307D+01  0.209925D+01  0.507453D+00  0.710017D-01 -0.205393D+01
                31            32            33            34            35 
      1   0.101092D+02 -0.314428D+01 -0.966503D+00 -0.379313D+01 -0.601030D+00
      2  -0.314428D+01  0.167707D+02 -0.374071D+01 -0.601030D+00 -0.307086D+01
      3  -0.966503D+00 -0.374071D+01  0.743821D+00 -0.573164D+01  0.166048D+01
                36            37            38            39            40 
      1  -0.573164D+01 -0.541317D+01 -0.198868D+01  0.421115D+00  0.803180D+01
      2   0.166048D+01 -0.198868D+01 -0.135602D+02  0.288959D+01 -0.177392D+01
      3   0.182266D+00  0.421115D+00  0.288959D+01 -0.333137D+01 -0.932099D+00
                41            42            43            44            45 
      1  -0.177392D+01 -0.932099D+00 -0.177299D+01 -0.803757D+00 -0.507184D+01
      2  -0.669303D+01  0.273077D+01 -0.803757D+00  0.382329D+01  0.193251D+01
      3   0.273077D+01  0.723387D+00 -0.507184D+01  0.193251D+01 -0.740418D+00
                46            47            48            49            50 
      1   0.118698D+02  0.983299D+00 -0.489082D+00 -0.135743D+00 -0.290637D+01
      2   0.983299D+00  0.975759D+01 -0.154102D+01 -0.290637D+01  0.516302D+00
      3  -0.489082D+00 -0.154102D+01  0.264778D+01  0.105549D+01  0.156176D+01
                51            52            53            54            55 
      1   0.105549D+01 -0.362928D+00  0.114355D+01  0.922833D+00 -0.631014D+01
      2   0.156176D+01  0.114355D+01  0.154833D+01  0.378957D+01 -0.252288D+01
      3   0.104305D+01  0.922833D+00  0.378957D+01 -0.266720D+01  0.817658D+00
                56            57            58            59            60 
      1  -0.252288D+01  0.817658D+00 -0.464175D+00  0.335957D+01 -0.115969D+01
      2  -0.520263D+01  0.596287D+00  0.335957D+01 -0.269658D+01 -0.854029D+00
      3   0.596287D+00 -0.251123D+01 -0.115969D+01 -0.854029D+00 -0.969968D+00
                61            62            63            64            65 
      1   0.314450D+00 -0.119333D+01 -0.545817D+00 -0.161771D+01 -0.231590D+01
      2  -0.119333D+01 -0.972010D+00 -0.348529D+01 -0.231590D+01 -0.111005D+01
      3  -0.545817D+00 -0.348529D+01  0.253419D+01  0.549874D+00  0.283986D+00
                66            67            68            69            70 
      1   0.549874D+00 -0.303753D+01 -0.278562D+01  0.835105D+00  0.766090D+00
      2   0.283986D+00 -0.278562D+01 -0.537650D+01  0.129687D+01  0.822146D+00
      3  -0.409980D+00  0.835105D+00  0.129687D+01 -0.110527D+01 -0.368760D+00
                71            72            73            74            75 
      1   0.822146D+00 -0.368760D+00 -0.568560D+01  0.356358D+01 -0.462292D+00
      2   0.134665D+01 -0.526392D+00  0.356358D+01 -0.362410D+01  0.561644D+00
      3  -0.526392D+00  0.363223D+00 -0.462292D+00  0.561644D+00 -0.492433D+00
                76            77            78            79            80 
      1   0.378262D+01 -0.464892D+01  0.993370D+00 -0.595005D+00  0.108675D+01
      2  -0.464892D+01  0.658111D+01 -0.102403D+01  0.108675D+01 -0.126146D+01
      3   0.993370D+00 -0.102403D+01  0.863551D+00  0.250994D+00  0.518096D+00
                81            82            83            84            85 
      1   0.250994D+00  0.133425D+01  0.189192D+01 -0.520755D+00  0.736651D+00
      2   0.518096D+00  0.189192D+01  0.280886D+01 -0.727228D+00  0.196051D+01
      3  -0.333686D+00 -0.520755D+00 -0.727228D+00  0.466890D+00 -0.477723D+00
                86            87            88            89            90 
      1   0.196051D+01 -0.477723D+00 -0.314649D+00 -0.586620D+00  0.143342D+00
      2   0.979211D+01 -0.224764D+01 -0.586620D+00 -0.265310D+01  0.673382D+00
      3  -0.224764D+01  0.137284D+01  0.143342D+00  0.673382D+00 -0.405123D+00
                91            92            93            94            95 
      1   0.132491D+02 -0.189996D+01  0.363406D+00  0.419008D+01  0.157584D+01
      2  -0.189996D+01  0.171700D+01  0.815082D+00  0.157584D+01 -0.242893D+01
      3   0.363406D+00  0.815082D+00  0.289535D+01  0.608784D+00  0.256285D+01
                96            97            98            99           100 
      1   0.608784D+00 -0.370368D+01  0.139097D+01  0.761938D+01  0.896410D+01
      2   0.256285D+01  0.139097D+01  0.217185D+01 -0.103562D+00  0.327947D+00
      3   0.109805D+01  0.761938D+01 -0.103562D+00 -0.210623D+01 -0.192957D+01
               101           102           103           104           105 
      1   0.327947D+00 -0.192957D+01 -0.176957D+00 -0.207577D+01 -0.235782D+00
      2  -0.191087D+01 -0.391200D+00 -0.207577D+01 -0.620979D-01 -0.388843D+01
      3  -0.391200D+00 -0.229875D+01 -0.235782D+00 -0.388843D+01 -0.932860D+00
               106           107           108           109           110 
      1   0.562471D+01 -0.738829D+00 -0.523625D+01  0.416143D+01  0.326209D+01
      2  -0.738829D+00 -0.276196D+01 -0.285491D+00  0.326209D+01  0.119656D+01
      3  -0.523625D+01 -0.285491D+00  0.310758D+01 -0.181565D+01 -0.715701D+00
               111           112           113           114           115 
      1  -0.181565D+01  0.393191D+00  0.142977D+01 -0.136956D+01 -0.593499D+01
      2  -0.715701D+00  0.142977D+01  0.324764D+00 -0.127408D+01 -0.156855D+01
      3  -0.109264D+01 -0.136956D+01 -0.127408D+01 -0.745272D+00 -0.302792D+01
               116           117           118           119           120 
      1  -0.156855D+01 -0.302792D+01 -0.159593D+01  0.239774D+01 -0.101130D+01
      2  -0.185644D+01 -0.533434D-01  0.239774D+01 -0.200165D+01  0.156514D+00
      3  -0.533434D-01  0.171449D-01 -0.101130D+01  0.156514D+00 -0.128250D+01
               121           122           123           124           125 
      1   0.448169D+01 -0.229170D+01  0.284761D+00 -0.159915D+01  0.215093D+00
      2  -0.229170D+01  0.517380D+01 -0.131527D+01  0.215093D+00 -0.156692D+01
      3   0.284761D+00 -0.131527D+01  0.141509D+01 -0.162923D+01  0.116885D+01
               126           127           128           129           130 
      1  -0.162923D+01  0.177549D+00 -0.757921D+00  0.416025D+00 -0.196938D+01
      2   0.116885D+01 -0.757921D+00  0.921540D+00 -0.415133D+00  0.294575D+00
      3  -0.777433D+00  0.416025D+00 -0.415133D+00  0.147238D+01  0.351981D+00
               131           132           133           134           135 
      1   0.294575D+00  0.351981D+00  0.586040D+00 -0.171098D-01  0.255872D+00
      2  -0.335849D+01  0.218877D+01 -0.171098D-01  0.170764D+01 -0.141016D+01
      3   0.218877D+01 -0.270305D+01  0.255872D+00 -0.141016D+01  0.226903D+01
               136           137           138           139           140 
      1  -0.151146D+02  0.131648D+00  0.375799D+01 -0.623710D+00 -0.112250D+01
      2   0.131648D+00 -0.788320D+00 -0.198639D+00 -0.112250D+01 -0.764585D-01
      3   0.375799D+01 -0.198639D+00 -0.240874D+01  0.530168D-01  0.723532D+00
               141           142           143           144           145 
      1   0.530168D-01  0.160853D+01  0.162018D+00 -0.140042D+01 -0.342209D+00
      2   0.723532D+00  0.162018D+00  0.171380D+00 -0.114823D-01  0.873487D+00
      3  -0.100065D+00 -0.140042D+01 -0.114823D-01  0.513960D+00  0.743658D+00
               146           147           148           149           150 
      1   0.873487D+00  0.743658D+00  0.140218D+01  0.173226D+00 -0.370385D+00
      2   0.104431D+01  0.687952D+00  0.173226D+00  0.406162D+01  0.315283D+01
      3   0.687952D+00  0.151350D+01 -0.370385D+00  0.315283D+01  0.358373D+01
               151           152           153           154           155 
      1   0.213338D+00 -0.661137D-01  0.154589D+00 -0.147984D+02 -0.494968D+01
      2  -0.661137D-01  0.226717D+01  0.238740D+01 -0.494968D+01 -0.274995D+01
      3   0.154589D+00  0.238740D+01  0.378899D+01  0.112997D+01 -0.584957D-01
               156           157           158           159           160 
      1   0.112997D+01 -0.734967D+01 -0.572350D+01  0.721646D+00  0.147146D+01
      2  -0.584957D-01 -0.572350D+01 -0.488875D+01  0.678771D+00  0.649024D+00
      3  -0.209859D+01  0.721646D+00  0.678771D+00 -0.121584D+01 -0.237454D+01
               161           162           163           164           165 
      1   0.649024D+00 -0.237454D+01 -0.821162D+01 -0.302278D+01 -0.240312D+01
      2   0.123077D+01 -0.133833D+01 -0.302278D+01 -0.483725D+00  0.231191D-01
      3  -0.133833D+01  0.176910D+01 -0.240312D+01  0.231191D-01 -0.703863D+00
               166           167           168           169           170 
      1  -0.586261D+01 -0.122646D+01 -0.808655D+00  0.426882D+00  0.135721D+00
      2  -0.122646D+01 -0.117915D+01 -0.181851D+01  0.135721D+00 -0.333053D+00
      3  -0.808655D+00 -0.181851D+01 -0.199252D+01 -0.653192D+00 -0.145893D+01
               171           172           173           174           175 
      1  -0.653192D+00  0.777593D+01  0.254310D+01  0.599519D+00  0.660945D+01
      2  -0.145893D+01  0.254310D+01  0.917045D+00  0.391608D+00  0.140309D+01
      3  -0.654520D+01  0.599519D+00  0.391608D+00  0.202033D+01  0.100890D+01
               176           177           178           179           180 
      1   0.140309D+01  0.100890D+01  0.265546D+01  0.607987D+00  0.136704D+01
      2   0.563886D+00 -0.369416D+00  0.607987D+00 -0.948865D+00  0.641751D+00
      3  -0.369416D+00  0.137833D+01  0.136704D+01  0.641751D+00 -0.132120D+01
               181           182           183           184           185 
      1   0.534592D+01  0.227389D+01 -0.509403D+00 -0.131946D+02  0.438364D+01
      2   0.227389D+01  0.939248D+01 -0.203973D+01  0.438364D+01  0.323705D+01
      3  -0.509403D+00 -0.203973D+01  0.304430D+01  0.498682D+00 -0.219476D+01
               186           187           188           189           190 
      1   0.498682D+00  0.318287D+01 -0.391982D+00  0.379867D+01  0.408210D+02
      2  -0.219476D+01 -0.391982D+00 -0.287491D+01 -0.214124D+01 -0.910349D+01
      3  -0.120297D+01  0.379867D+01 -0.214124D+01  0.959854D+00  0.505831D+00
               191           192           193           194           195 
      1  -0.910349D+01  0.505831D+00 -0.523235D+01  0.288687D+01  0.136183D+01
      2   0.997842D+01 -0.934240D+00  0.288687D+01 -0.137753D+02  0.283049D+01
      3  -0.934240D+00  0.438887D+01  0.136183D+01  0.283049D+01 -0.881600D+00
               196           197           198           199           200 
      1  -0.356232D+00  0.145520D+01  0.664395D+01 -0.366369D+02  0.125243D+02
      2   0.145520D+01  0.205058D+01 -0.195662D+01  0.125243D+02 -0.921524D+01
      3   0.664395D+01 -0.195662D+01 -0.189077D+00 -0.748382D+00  0.172929D+01
               201           202           203           204           205 
      1  -0.748382D+00  0.199023D+02 -0.625191D+01  0.641373D+00 -0.227164D+01
      2   0.172929D+01 -0.625191D+01  0.811473D+01  0.149279D+00  0.119251D+01
      3  -0.641184D+00  0.641373D+00  0.149279D+00  0.238056D+01  0.399804D+00
               206           207           208           209           210 
      1   0.119251D+01  0.399804D+00 -0.121294D+02  0.576630D+01 -0.774215D+00
      2   0.905282D+00  0.402497D+01  0.576630D+01 -0.447052D+01  0.669891D+00
      3   0.402497D+01 -0.285000D+01 -0.774215D+00  0.669891D+00 -0.564691D+00
               211           212           213           214           215 
      1  -0.758476D+00  0.271226D+01 -0.700713D+00  0.944277D+00 -0.948863D+00
      2   0.271226D+01  0.962058D+00 -0.555934D+00 -0.948863D+00  0.336494D+00
      3  -0.700713D+00 -0.555934D+00 -0.113398D+01  0.203150D+00  0.639813D+00
               216           217           218           219           220 
      1   0.203150D+00 -0.166048D+01 -0.443287D+01  0.103487D+01 -0.495687D+01
      2   0.639813D+00 -0.443287D+01  0.190350D+01  0.194494D+00 -0.113589D+01
      3  -0.108117D-01  0.103487D+01  0.194494D+00 -0.774164D-01  0.519035D+00
               221           222           223           224           225 
      1  -0.113589D+01  0.519035D+00  0.102097D+01  0.423439D+00 -0.215818D+01
      2   0.246022D+01  0.216570D+01  0.423439D+00  0.166819D+01  0.406978D+01
      3   0.216570D+01  0.547514D+01 -0.215818D+01  0.406978D+01 -0.340156D+01
               226           227           228           229           230 
      1  -0.948605D+00 -0.165969D+01  0.461813D+00 -0.497859D+00 -0.135537D+01
      2  -0.165969D+01 -0.240727D+01  0.638805D+00 -0.135537D+01 -0.851630D+01
      3   0.461813D+00  0.638805D+00 -0.414510D+00  0.351252D+00  0.195273D+01
               231           232           233           234           235 
      1   0.351252D+00  0.218405D+00  0.497902D+00 -0.716099D-02  0.581165D+01
      2   0.195273D+01  0.497902D+00  0.225573D+01 -0.604863D+00 -0.318267D+01
      3  -0.127472D+01 -0.716099D-02 -0.604863D+00  0.390478D+00  0.389554D+00
               236           237           238           239           240 
      1  -0.318267D+01  0.389554D+00 -0.451277D+01  0.448077D+01 -0.945760D+00
      2   0.277222D+01 -0.406826D+00  0.448077D+01 -0.563762D+01  0.933689D+00
      3  -0.406826D+00  0.343228D+00 -0.945760D+00  0.933689D+00 -0.729024D+00
               241           242           243           244           245 
      1   0.723298D+00 -0.102568D+01 -0.232882D+00  0.202292D+01  0.289837D+01
      2  -0.102568D+01  0.118807D+01 -0.280750D+00  0.289837D+01  0.214585D+01
      3  -0.232882D+00 -0.280750D+00  0.251173D+00 -0.784772D+00 -0.594725D+00
               246           247           248           249           250 
      1  -0.784772D+00  0.341957D+01  0.355976D+01 -0.961423D+00 -0.965756D+00
      2  -0.594725D+00  0.355976D+01  0.695482D+01 -0.170323D+01 -0.102265D+01
      3   0.596168D+00 -0.961423D+00 -0.170323D+01  0.128097D+01  0.541310D+00
               251           252           253           254           255 
      1  -0.102265D+01  0.541310D+00 -0.292708D+00 -0.230545D+00 -0.910732D+00
      2  -0.190878D+01  0.489167D+00 -0.230545D+00 -0.517604D+00 -0.323044D-01
      3   0.489167D+00 -0.405800D+00 -0.910732D+00 -0.323044D-01 -0.507885D+00
               256           257           258           259           260 
      1  -0.205981D+01  0.234782D+01  0.117447D+01 -0.314629D+01  0.157783D+01
      2   0.234782D+01 -0.500804D+01 -0.284024D+01  0.157783D+01 -0.300764D+01
      3   0.117447D+01 -0.284024D+01 -0.282192D+01  0.185590D+01 -0.295276D+01
               261           262           263           264           265 
      1   0.185590D+01  0.452419D+00  0.187232D-01  0.128183D+01 -0.622325D+00
      2  -0.295276D+01  0.187232D-01 -0.319210D+00 -0.314361D+00  0.131073D+01
      3  -0.318009D+01  0.128183D+01 -0.314361D+00  0.425960D-01 -0.100312D+01
               266           267           268           269           270 
      1   0.131073D+01 -0.100312D+01  0.446817D+01 -0.159666D+01  0.322363D+01
      2  -0.179407D+01  0.141254D+01 -0.159666D+01  0.172720D+01 -0.251908D+01
      3   0.141254D+01 -0.221224D+01  0.322363D+01 -0.251908D+01  0.671220D+01
               271           272           273           274           275 
      1   0.150601D+02  0.153237D+01 -0.116439D+01  0.500989D+01  0.161535D+01
      2   0.153237D+01  0.948575D+00 -0.899528D-01  0.161535D+01  0.116633D+01
      3  -0.116439D+01 -0.899528D-01  0.117950D+01 -0.322360D+00 -0.393779D+00
               276           277           278           279 
      1  -0.322360D+00 -0.200515D+01 -0.148296D+00  0.182753D+01
      2  -0.393779D+00 -0.148296D+00 -0.462855D+00 -0.157116D+00
      3   0.303087D+00  0.182753D+01 -0.157116D+00 -0.228021D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.233871D+01  0.234100D+01 -0.854183D+00  0.193158D+01 -0.684468D+00
      2   0.210879D+01  0.869873D+01 -0.173916D+01  0.657629D+01 -0.695136D+01
      3  -0.161291D+02  0.411647D+02 -0.929780D+01  0.190045D+02 -0.278671D+02
                 6             7             8             9            10 
      1   0.156895D+00 -0.482196D+01  0.851226D+01 -0.172933D+01 -0.208195D+00
      2   0.219888D+01 -0.199167D+02  0.390277D+01 -0.827440D-01 -0.314225D+00
      3   0.583238D+01  0.126926D+01  0.292028D+01 -0.287873D+00  0.321997D+02
                11            12            13            14            15 
      1   0.348426D+01 -0.122747D+01  0.190656D-01  0.969515D+00  0.111331D+01
      2   0.956283D+01 -0.696453D+01  0.466001D+01 -0.615276D+01  0.898797D+00
      3   0.362792D+02 -0.959361D+01  0.681053D+02 -0.334653D+02  0.413717D+01
                16            17            18            19            20 
      1  -0.504405D+01  0.687682D+01 -0.199394D+01 -0.317892D+01 -0.443272D+00
      2  -0.212515D+02  0.367770D+01  0.769665D+00 -0.460946D+01 -0.718760D+01
      3  -0.131431D+02  0.464177D+01 -0.706996D+00  0.144506D+02 -0.375731D+02
                21            22            23            24            25 
      1   0.478381D+00 -0.425461D+00 -0.275742D+00 -0.143585D+01 -0.494587D+01
      2   0.128841D+01 -0.244332D+01  0.261113D+01  0.741520D+00 -0.179682D+02
      3   0.849786D+01 -0.796548D+01  0.649682D+01 -0.218419D+01  0.724896D+01
                26            27            28            29            30 
      1   0.289775D+01 -0.100484D+01 -0.754306D+00  0.121711D+01  0.519290D+00
      2   0.704502D+01 -0.171160D+01 -0.107818D+01  0.253643D+01  0.977367D+00
      3  -0.230339D+01 -0.125458D+01 -0.345330D+02  0.116308D+02 -0.120743D+01
                31            32            33            34            35 
      1   0.446262D+01  0.492472D+01  0.218521D+00  0.348151D+01  0.118482D+02
      2   0.312330D+01 -0.128614D+01  0.277284D+00 -0.127805D+02  0.135096D+01
      3   0.322762D+02 -0.109796D+02 -0.556894D+00 -0.404635D+01 -0.923055D+00
                36            37            38            39            40 
      1  -0.274696D+01  0.185164D+00  0.104251D+01  0.817487D+01  0.290062D+01
      2   0.627497D+00 -0.420594D+01  0.142548D+01  0.190990D+01 -0.209688D+01
      3  -0.342226D+01 -0.188250D+02  0.498476D+01 -0.155987D+01  0.810528D+01
                41            42            43            44            45 
      1  -0.389354D+00 -0.167365D+01  0.166017D+02  0.441003D+01 -0.179232D+01
      2  -0.261752D+01 -0.129715D+01 -0.780030D+01 -0.682271D+01  0.201661D+01
      3  -0.489972D-01 -0.121388D+01 -0.205394D+01 -0.564190D+00 -0.657767D+01
                46            47            48            49            50 
      1   0.159838D+00 -0.323877D+01 -0.677922D+01 -0.266366D+01 -0.548141D+00
      2   0.626757D+01 -0.763947D+01  0.159636D+01 -0.564085D+01  0.667309D+01
      3   0.364195D+02 -0.324363D+02  0.667162D+01 -0.649029D+01  0.247639D+02
                51            52            53            54            55 
      1  -0.364373D+01 -0.855909D+01 -0.419904D+01  0.416020D+01  0.808322D+00
      2  -0.141210D+01 -0.150384D+02 -0.158782D+00  0.201937D+01  0.730265D+01
      3  -0.415898D+01  0.397091D+01 -0.267499D+01  0.520626D+01  0.343523D+02
                56            57            58            59            60 
      1  -0.437465D+01 -0.509118D+01 -0.161777D+01  0.602516D+00 -0.258137D+01
      2  -0.898048D+01 -0.437497D+01 -0.656680D+01  0.591897D+01 -0.247760D+01
      3  -0.319928D+02  0.812131D+01 -0.555805D+01  0.309332D+02 -0.411886D+01
                61            62            63            64            65 
      1  -0.756698D+01 -0.193160D+01  0.201193D+01 -0.551025D+00 -0.538972D+00
      2  -0.201273D+02 -0.256923D+01  0.583853D+01  0.673269D+00  0.729305D+00
      3   0.588259D+01 -0.214325D+01  0.979795D+01  0.357235D+00 -0.253531D+00
                66            67            68            69            70 
      1  -0.131829D+01 -0.784960D+00 -0.158590D+01 -0.286649D+01 -0.872969D+00
      2   0.420478D+00  0.113066D+01 -0.498758D+00  0.179871D+01 -0.238431D+01
      3   0.234222D+00  0.335690D+01 -0.581932D+01  0.127333D+01  0.624944D-01
                71            72            73            74            75 
      1   0.263027D+01  0.161016D+00 -0.467161D+00  0.404631D+00  0.246406D+01
      2  -0.874329D+00  0.510213D-01 -0.163473D+01  0.195589D+00  0.182884D+01
      3   0.136389D+01  0.236506D+00 -0.102642D+02  0.165097D+01 -0.213591D+00
                76            77            78            79            80 
      1  -0.134044D+01  0.367095D+00 -0.372053D+01 -0.291667D+01  0.105872D+01
      2  -0.525037D+00  0.343633D+00 -0.251700D+01 -0.225050D+01 -0.247627D+00
      3   0.373619D+01  0.638149D+00  0.749575D+00  0.574428D+00 -0.143267D+00
                81            82            83            84            85 
      1   0.680393D+00  0.627503D+00  0.394472D+00 -0.186422D+01  0.647378D+00
      2   0.801175D+00  0.124280D+01  0.736440D+00  0.604667D+00  0.979071D+00
      3   0.113001D+01  0.605633D+01  0.314422D+01 -0.128336D+01  0.515469D+01
                86            87            88            89            90 
      1   0.124961D+01 -0.515664D+01  0.118457D+01  0.241204D+01  0.597963D+00
      2   0.112714D+01  0.983880D+00 -0.124476D+01  0.361534D+00 -0.614537D+00
      3   0.362788D+01 -0.145346D+01 -0.135358D+01 -0.183907D+01 -0.306229D+00
                91            92            93            94            95 
      1   0.277170D+01  0.114530D+01 -0.175361D+01  0.593283D+01  0.404531D+00
      2  -0.431018D+01 -0.185282D+01 -0.680186D+01 -0.196708D+01 -0.113139D+02
      3   0.114582D+02  0.222762D+01  0.203800D+01  0.236832D+02 -0.140077D+02
                96            97            98            99           100 
      1  -0.206223D+01 -0.200123D+01  0.565556D+01  0.105728D+01  0.357847D+01
      2  -0.197751D+01 -0.336575D+02  0.794923D+00  0.576598D+01 -0.112378D+02
      3   0.109676D+02 -0.138856D+01  0.139885D+02  0.742072D+01  0.518430D+01
               101           102           103           104           105 
      1  -0.690414D+01  0.918371D+00 -0.274704D+01  0.447816D+00 -0.128402D+02
      2  -0.688151D+00  0.177767D+02 -0.257342D+01  0.207270D+02  0.376305D+01
      3  -0.150671D+02 -0.344828D+00 -0.871592D+01  0.124791D+01 -0.174769D+02
               106           107           108           109           110 
      1   0.332906D+01 -0.675136D+01 -0.395567D+01 -0.307997D+01  0.235626D+01
      2   0.181934D+02  0.326090D+00 -0.641394D+01  0.112248D+02  0.674783D+01
      3   0.722297D+01 -0.162436D+02 -0.578971D+01 -0.864938D+01  0.493971D+01
               111           112           113           114           115 
      1   0.995139D+01 -0.875440D+01 -0.790162D+01 -0.571429D+01  0.915271D+01
      2   0.495988D+01  0.700492D+01  0.524569D+01 -0.789485D+01  0.514363D+01
      3  -0.891837D+01  0.572369D+01  0.162369D+02 -0.456722D+01 -0.131510D+02
               116           117           118           119           120 
      1   0.188548D+01  0.537966D+01  0.147140D+01 -0.105995D+01  0.115123D+01
      2  -0.257252D+01  0.448875D+01  0.430879D+01 -0.163151D+01  0.565243D+01
      3  -0.925362D+01 -0.381188D+01  0.926396D+01 -0.724498D+01  0.209538D+00
               121           122           123           124           125 
      1  -0.130312D+01  0.186942D+01 -0.293363D+01  0.963186D+00 -0.321796D+00
      2  -0.175784D+01  0.595176D+01 -0.557777D+01  0.360402D+01 -0.423330D+01
      3  -0.135736D+01  0.187550D+02 -0.517345D+01 -0.868711D+00 -0.644696D+01
               126           127           128           129           130 
      1   0.952513D+00 -0.273279D+01  0.332569D+01 -0.111262D+01  0.154631D+01
      2   0.314451D+01 -0.421701D+01  0.401486D+01 -0.599883D+01  0.382082D+01
      3   0.302318D+01 -0.522590D+01  0.452610D+01 -0.227274D+01  0.401965D+01
               131           132           133           134           135 
      1  -0.938688D+01  0.359607D+01 -0.666075D+00  0.537997D+01 -0.319776D+01
      2  -0.104920D+02  0.997269D+01 -0.328860D+01  0.567627D+01 -0.903321D+01
      3  -0.140908D+02  0.929350D+01 -0.554910D+00  0.634708D+01 -0.567473D+01
               136           137           138           139           140 
      1  -0.257103D+01 -0.256163D+01  0.742498D+00 -0.248722D+01 -0.998824D+00
      2   0.103903D+02  0.718466D+00  0.719430D+01  0.754668D+00 -0.106381D+01
      3  -0.728112D+01 -0.610588D+01  0.119579D+01 -0.407323D+01 -0.116595D+01
               141           142           143           144           145 
      1   0.691171D+00  0.150124D+00  0.163280D+01 -0.124041D+00  0.184094D+01
      2   0.651892D+00  0.130328D+01  0.668563D+00  0.101559D+00 -0.428537D+01
      3   0.274622D+01 -0.741806D-01  0.301790D+01 -0.105092D+01  0.355573D+01
               146           147           148           149           150 
      1   0.324003D+01  0.210290D+00  0.182556D+01  0.837171D+01  0.308115D+01
      2  -0.420988D+01 -0.663112D+01 -0.250849D+01 -0.133458D+02 -0.131755D+02
      3   0.470402D+01  0.258050D+01  0.390059D+01  0.152150D+02  0.112994D+02
               151           152           153           154           155 
      1  -0.480886D+00  0.543218D+01  0.288024D+01  0.373885D+01 -0.628954D-01
      2  -0.358342D+01 -0.934630D+01 -0.143947D+02 -0.115742D+02 -0.265540D+01
      3  -0.511064D+00  0.833152D+01  0.880722D+01 -0.727087D+01 -0.187330D+02
               156           157           158           159           160 
      1  -0.669490D+01  0.608374D+01  0.476493D+01 -0.497373D+01 -0.434282D+01
      2   0.169704D+02 -0.223511D+01 -0.540369D+01  0.114395D+02  0.638868D+01
      3   0.588950D+00 -0.171084D+02 -0.261605D+02  0.192055D+01  0.354656D+01
               161           162           163           164           165 
      1   0.779689D+00  0.250995D+01  0.427471D+01  0.229525D+01 -0.333719D+01
      2   0.479082D+01 -0.102681D+02 -0.898640D+01 -0.573433D+01  0.159237D+01
      3   0.560507D+01 -0.340373D+01 -0.696376D+01 -0.414254D+01  0.227504D+01
               166           167           168           169           170 
      1   0.752085D+01  0.518037D+01  0.693698D+00 -0.125278D+01  0.609396D+01
      2  -0.941342D+01  0.471271D+01  0.828967D+01 -0.257525D+01  0.462009D+01
      3  -0.653632D+00 -0.614725D+01 -0.930216D+01  0.364293D+01 -0.221154D+01
               171           172           173           174           175 
      1  -0.455364D+01 -0.726807D+01 -0.333996D+01  0.120340D+01 -0.872597D+01
      2   0.211521D+02  0.179389D+02  0.448092D+01 -0.577113D+01  0.928669D+01
      3  -0.512274D+01  0.160416D+01  0.265614D+01  0.192965D+01  0.840271D+01
               176           177           178           179           180 
      1  -0.373963D+01 -0.111599D+01  0.907569D+00  0.389920D+00 -0.935140D+00
      2   0.395303D+01 -0.443741D+01 -0.300581D+01 -0.116612D+01  0.523434D+01
      3   0.173761D+01  0.841173D+00  0.169670D+01  0.103280D+01  0.500825D+00
               181           182           183           184           185 
      1   0.281954D+00  0.353087D+01  0.587793D+01  0.247056D+01  0.661572D+00
      2  -0.583163D+01  0.133916D+01  0.756816D+01 -0.387634D+01 -0.615354D+01
      3  -0.222320D+02  0.283312D+01 -0.160091D+01 -0.183595D+02 -0.696163D+01
               186           187           188           189           190 
      1  -0.254530D+01  0.103927D+02  0.448317D+01 -0.213225D+01 -0.117651D+01
      2  -0.316916D+01 -0.505872D+01 -0.916733D+01  0.257704D+01 -0.314399D+01
      3   0.422518D+01  0.623775D+01  0.412820D+01 -0.562533D+00  0.139310D+02
               191           192           193           194           195 
      1   0.263706D+01 -0.335576D+01  0.223875D+01  0.164288D+01  0.342407D+01
      2   0.552737D+01  0.206629D+01  0.987783D+01 -0.853231D+00 -0.102498D+01
      3   0.136271D+02 -0.433750D+01  0.351217D+02 -0.406458D+01 -0.478965D+00
               196           197           198           199           200 
      1  -0.517142D+00  0.131187D+02 -0.410623D+01 -0.734197D+00 -0.302865D+01
      2   0.134187D+01  0.161713D+01 -0.463234D+00 -0.348006D+01 -0.635379D+01
      3  -0.911663D+01 -0.350416D+00  0.442765D+01 -0.357781D+02 -0.257100D+02
               201           202           203           204           205 
      1   0.129625D+01 -0.225675D+01  0.168921D+01 -0.419100D+01 -0.719426D+01
      2   0.427555D+01 -0.367136D+01  0.840278D+01  0.345390D+01 -0.152123D+02
      3   0.726991D+01  0.124744D+02  0.740252D+01 -0.588048D+01  0.253123D+01
               206           207           208           209           210 
      1   0.319149D+01  0.907556D+00  0.106980D+01 -0.226605D+01  0.393853D+01
      2   0.155467D+02 -0.724139D+01  0.132464D+01 -0.657174D+01  0.140179D+02
      3  -0.685915D+01 -0.701813D+01 -0.568827D+01 -0.371220D+02  0.584279D+01
               211           212           213           214           215 
      1   0.331322D+00 -0.191782D+01 -0.511233D+01  0.124309D+01 -0.116616D+01
      2  -0.239521D+01 -0.323856D+01 -0.681741D+01 -0.599432D+01  0.314974D+01
      3  -0.228478D+01 -0.602527D+01  0.308783D+01  0.165762D+01  0.296347D+01
               216           217           218           219           220 
      1   0.128747D+01  0.706167D+00  0.935151D+00 -0.105642D+01 -0.988692D+00
      2   0.454728D-01  0.742822D+01  0.350541D+01 -0.162031D+01  0.413877D+01
      3  -0.360100D+01  0.349249D+02  0.236024D+01 -0.498593D+01  0.179313D+02
               221           222           223           224           225 
      1   0.275572D+01  0.669904D+01 -0.103933D+02  0.885367D+01 -0.434787D+01
      2   0.100762D+02  0.348584D+02 -0.170255D+02  0.260502D+02 -0.218357D+02
      3  -0.292753D+02 -0.115795D+02 -0.413444D+01 -0.915996D+01 -0.267078D+02
               226           227           228           229           230 
      1   0.145733D+00 -0.250498D+00 -0.148851D+01  0.446064D-01 -0.808291D+00
      2   0.214471D+01  0.177354D+01 -0.214178D+00  0.147580D+01  0.431167D+01
      3   0.802682D+01  0.562788D+01 -0.188708D+01  0.584766D+01  0.166587D+02
               231           232           233           234           235 
      1  -0.402120D+01  0.806942D+00  0.311310D+01  0.265439D+00 -0.873568D+00
      2  -0.123904D+01 -0.780103D+00 -0.128719D+01  0.180787D+00 -0.198862D+01
      3  -0.428160D+01 -0.205741D+01 -0.480643D+01  0.739717D+00 -0.355676D+01
               236           237           238           239           240 
      1   0.735389D+00  0.150149D+01 -0.288760D+00 -0.566411D+00 -0.289014D+01
      2  -0.306230D-01  0.150355D+01 -0.122566D+01  0.169772D+01 -0.309004D+01
      3  -0.386238D+01  0.768717D+00 -0.431782D+01  0.127240D+02 -0.170972D+01
               241           242           243           244           245 
      1  -0.252349D+01  0.146223D+01  0.451568D+00  0.103092D+00 -0.157196D+00
      2  -0.252439D+01 -0.304832D+00  0.114627D+01 -0.123939D+01 -0.954623D+00
      3   0.232496D+01 -0.275173D+01  0.139835D+01 -0.376510D+01 -0.381452D+01
               246           247           248           249           250 
      1  -0.151957D+01  0.176734D+00 -0.289537D+00 -0.356239D+01 -0.150105D+00
      2   0.220522D+01 -0.141983D+01 -0.406796D+01  0.429444D+01 -0.153522D+01
      3   0.837851D+00 -0.235312D+01 -0.169673D+02  0.383533D+01  0.145980D+01
               251           252           253           254           255 
      1   0.206377D+01  0.491170D+00  0.129953D+00 -0.170370D+00 -0.113689D+01
      2   0.562195D+00 -0.887517D+00 -0.619694D+01 -0.389008D+00 -0.226244D+01
      3   0.464924D+01 -0.567016D+00  0.327936D+01  0.271560D+01  0.144757D+01
               256           257           258           259           260 
      1   0.106282D+01 -0.159695D+01 -0.487460D+01  0.217749D+01 -0.123081D+01
      2   0.433972D+01 -0.144065D+02 -0.163840D+02  0.735557D+01 -0.166945D+02
      3  -0.102713D+02  0.329750D+02  0.160270D+02 -0.575195D+01  0.184212D+02
               261           262           263           264           265 
      1  -0.464530D+01  0.388445D+00 -0.258961D+00 -0.359973D+00 -0.583515D+00
      2  -0.171304D+02  0.861545D+01 -0.183511D+01  0.514533D+00 -0.486769D+01
      3   0.174286D+02  0.816948D+00  0.701932D+00  0.692726D+00 -0.646316D+01
               266           267           268           269           270 
      1   0.863018D+00 -0.312336D+01  0.367547D+01  0.709395D-01  0.791684D+01
      2   0.831927D+01 -0.134515D+02  0.141080D+02 -0.154017D+02  0.394524D+02
      3   0.136394D+02 -0.874905D+01  0.619767D+01 -0.119913D+02  0.157064D+02
               271           272           273           274           275 
      1  -0.102500D+01 -0.429040D+00  0.522010D+00 -0.240034D+00 -0.527157D+00
      2  -0.662431D+01 -0.825742D+00  0.951522D+01 -0.198421D+01 -0.222627D+01
      3  -0.212273D+02 -0.106013D+02  0.185843D+01 -0.125163D+02 -0.849568D+01
               276           277           278           279 
      1  -0.695288D+00  0.169245D+01  0.233191D+00 -0.336347D-02
      2   0.232038D+01  0.920950D+01 -0.803739D+00 -0.134227D+01
      3   0.265510D+01  0.267906D+01  0.325492D+01  0.423887D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.907903D+02  0.558125D+02 -0.945927D+01 -0.809112D+02 -0.146386D+01
      2   0.504680D+02 -0.372022D+02  0.665126D+01  0.460065D+02  0.349562D+01
      3   0.403223D+02 -0.186103D+02  0.280801D+01  0.349047D+02 -0.203176D+01
      4   0.552586D+02 -0.447252D+01 -0.200226D+01 -0.673816D+01 -0.440032D+01
      5  -0.185697D+02 -0.229801D+00  0.561556D+00 -0.291427D+01  0.368482D+01
      6   0.425705D+00  0.261497D+01  0.111101D+01  0.225610D+01 -0.316105D+01
                 6             7             8             9            10 
      1   0.258053D+01  0.247869D+02 -0.556860D+01 -0.103189D+02  0.100339D+03
      2  -0.393440D+01 -0.126625D+02  0.269862D+01 -0.738803D+00 -0.475988D+02
      3   0.135386D+01 -0.121244D+02  0.286998D+01  0.110577D+02 -0.527402D+02
      4   0.213822D+01 -0.149873D+01  0.140890D+01  0.698115D+00 -0.172272D+02
      5   0.764506D+00  0.254099D+01 -0.212342D+01  0.439711D+00  0.751004D+01
      6   0.673383D+00  0.165281D+01  0.381275D+01  0.177561D+01 -0.655977D+01
                11            12            13            14            15 
      1  -0.591225D+01 -0.579338D+01  0.832642D+02 -0.359953D+02  0.191125D+01
      2   0.194584D+01  0.289744D+01 -0.408983D+02  0.302674D+02 -0.642645D+01
      3   0.396641D+01  0.289593D+01 -0.423658D+02  0.572791D+01  0.451520D+01
      4   0.659829D+01 -0.277354D+01 -0.188738D+02  0.145580D+02 -0.213647D+01
      5  -0.770947D+01 -0.832337D+01  0.889910D+01 -0.289814D+01  0.270345D-01
      6   0.270476D+01  0.141965D+01 -0.238388D+01 -0.398926D+01 -0.127361D+01
                16            17            18            19            20 
      1  -0.270252D+02  0.711671D+01 -0.880536D+01  0.567203D+02 -0.609659D+02
      2   0.141327D+02 -0.585754D+01  0.444685D+00 -0.339960D+02  0.460766D+02
      3   0.128925D+02 -0.125917D+01  0.836068D+01 -0.227243D+02  0.148893D+02
      4   0.620480D+01 -0.251143D+01  0.353108D+01 -0.500895D+02  0.199171D+01
      5  -0.280029D+01  0.355953D+01  0.106131D+01  0.206866D+02 -0.597601D-01
      6   0.419466D+01  0.555194D+01  0.197224D+01 -0.375890D+00 -0.294534D+01
                21            22            23            24            25 
      1   0.112561D+02  0.510581D+01  0.337284D+02 -0.797657D+01 -0.440102D+01
      2  -0.891929D+01 -0.131539D+02 -0.342660D+02  0.916218D+01  0.609687D+01
      3  -0.233676D+01  0.804807D+01  0.537533D+00 -0.118562D+01 -0.169585D+01
      4   0.117401D+01  0.206944D+02 -0.564002D+01  0.382904D+01 -0.265969D+01
      5  -0.413936D+01 -0.980360D+01  0.570596D+01  0.576109D+01  0.402907D+01
      6   0.134177D+01  0.805243D+01  0.909935D+01  0.133426D+01  0.115244D+01
                26            27            28            29            30 
      1  -0.388222D+01 -0.594933D+01 -0.195812D+01  0.597156D+01  0.793555D+00
      2   0.792238D+01 -0.849443D+01 -0.115348D+02 -0.836650D+01  0.376208D+00
      3  -0.404016D+01  0.144438D+02  0.134930D+02  0.239494D+01 -0.116976D+01
      4   0.634445D+01  0.228376D+01  0.141949D+02  0.115894D+02 -0.308788D+00
      5   0.853569D+01 -0.271963D+01 -0.186735D+02  0.271094D+01  0.914741D+01
      6   0.385015D+01  0.113100D+01  0.906492D+01  0.161492D+00 -0.292114D+01
                31            32            33            34            35 
      1   0.237701D+02 -0.756974D+02  0.145407D+02 -0.724454D+01  0.168542D+02
      2  -0.177264D+02  0.714734D+02 -0.184900D+02  0.359740D+01 -0.173007D+02
      3  -0.604371D+01  0.422406D+01  0.394930D+01  0.364713D+01  0.446462D+00
      4  -0.402053D+02 -0.680662D-01  0.343697D+01  0.185588D+02  0.175535D+01
      5   0.154950D+02  0.257472D+01 -0.168675D+01  0.280309D+02 -0.572118D+01
      6   0.197811D+01 -0.111440D+02 -0.910996D-01 -0.576157D+01  0.722680D+01
                36            37            38            39            40 
      1  -0.332457D+01 -0.693240D+01  0.745993D+02 -0.175496D+02 -0.208066D+02
      2  -0.333314D+01 -0.510044D+00 -0.620199D+02  0.884992D+01  0.214289D+02
      3   0.665771D+01  0.744245D+01 -0.125794D+02  0.869968D+01 -0.622318D+00
      4   0.181207D+01  0.658609D+01 -0.177559D+02  0.310535D+01  0.136106D+02
      5  -0.522550D+00 -0.338628D+00 -0.834322D+00  0.605118D+01  0.544948D+01
      6   0.460892D+01 -0.300270D+01  0.620211D+01 -0.158661D+02 -0.133128D+02
                41            42            43            44            45 
      1   0.377595D+02 -0.125280D+02  0.696424D+01 -0.179953D+02 -0.101191D+02
      2  -0.387979D+02  0.109671D+02 -0.141009D+02  0.203078D+02  0.310863D+00
      3   0.103839D+01  0.156090D+01  0.713661D+01 -0.231249D+01  0.980825D+01
      4   0.968196D+01 -0.784124D+01  0.251132D+01 -0.653898D+01 -0.832812D+01
      5  -0.902200D+01 -0.491098D+01  0.204109D+02 -0.606041D+01  0.441028D+01
      6   0.117502D+02  0.249624D+01 -0.194031D+02  0.120872D+02  0.108669D+01
                46            47            48            49            50 
      1   0.105984D+02 -0.554453D+02  0.106499D+02  0.166953D+02  0.263183D+01
      2  -0.772949D+01  0.478000D+02 -0.414124D+01 -0.147366D+02 -0.851994D+01
      3  -0.286895D+01  0.764533D+01 -0.650871D+01 -0.195861D+01  0.588811D+01
      4   0.487292D+01 -0.647128D+01  0.224485D+01  0.215928D+01 -0.976663D+01
      5  -0.311894D+00  0.617222D+01 -0.289288D+01  0.421315D+00  0.209199D+01
      6   0.429670D+01 -0.169102D+01  0.120465D+02  0.398140D+01  0.147400D+02
                51            52            53            54            55 
      1  -0.800946D+01 -0.584222D+01 -0.470008D+01 -0.231905D+02  0.383075D-01
      2   0.108831D+02  0.767770D+01  0.152751D+02  0.891779D+01 -0.255900D+01
      3  -0.287368D+01 -0.183548D+01 -0.105750D+02  0.142727D+02  0.252069D+01
      4   0.487616D+01  0.168837D+01  0.702679D+01  0.501972D+01 -0.396549D+02
      5   0.452230D+00  0.491722D+01  0.495645D+00  0.174642D+00  0.764724D+01
      6   0.531112D+01  0.424155D+01  0.219425D+02 -0.854813D+01  0.353277D+01
                56            57            58            59            60 
      1  -0.574365D+02  0.115828D+02  0.201251D+01  0.246063D+02 -0.116235D+02
      2   0.380552D+02 -0.280530D+01 -0.499826D+01 -0.208684D+02  0.108740D+02
      3   0.193813D+02 -0.877753D+01  0.298575D+01 -0.373787D+01  0.749518D+00
      4  -0.283559D+02  0.631869D+01  0.317939D+02 -0.158127D+02 -0.236763D+00
      5   0.755780D+01 -0.146235D+02 -0.857253D+01  0.173497D+00 -0.105212D+01
      6  -0.573377D+00  0.979824D+01  0.265552D+01  0.117274D+02  0.356457D+01
                61            62            63            64            65 
      1  -0.178113D+01 -0.845668D+01 -0.206452D+02  0.220962D+01 -0.716716D+00
      2   0.309347D+01  0.152152D+02  0.278361D+01 -0.235676D+00  0.163333D+01
      3  -0.131234D+01 -0.675855D+01  0.178616D+02 -0.197395D+01 -0.916611D+00
      4  -0.579861D+01  0.211832D+01 -0.916575D+01  0.735487D+01  0.928936D+01
      5   0.623938D+00 -0.107311D+02  0.889055D+01 -0.174041D+01 -0.228150D+01
      6   0.131618D+01  0.154783D+02 -0.555399D+01 -0.149378D+01 -0.115451D+01
                66            67            68            69            70 
      1   0.301932D+00 -0.385844D+01 -0.160144D+02  0.416595D+01  0.109360D+01
      2   0.415524D-01  0.526545D+01  0.176422D+02 -0.181405D+01 -0.472077D+00
      3  -0.343485D+00 -0.140701D+01 -0.162774D+01 -0.235190D+01 -0.621526D+00
      4  -0.172888D+01  0.120117D+02  0.172645D+02 -0.361356D+01 -0.292297D+01
      5   0.279467D+01 -0.361654D+01 -0.383483D+01  0.380998D+01  0.193853D+01
      6   0.124438D+01 -0.283622D+01 -0.673989D+01  0.532202D+01  0.244828D+01
                71            72            73            74            75 
      1   0.302769D+01 -0.387441D+01  0.207709D+01  0.560383D+01 -0.101076D+01
      2  -0.247924D+01  0.268963D+01  0.101197D+02 -0.159675D+02  0.177080D+01
      3  -0.548451D+00  0.118479D+01 -0.121968D+02  0.103637D+02 -0.760042D+00
      4  -0.426307D+01  0.264131D+01 -0.283092D+02  0.251903D+02 -0.377065D+01
      5   0.108418D+01 -0.139119D+01  0.405481D+01 -0.388850D+01  0.405667D+01
      6   0.353534D+01 -0.269058D+01 -0.259924D+01  0.297246D+01 -0.377792D+01
                76            77            78            79            80 
      1   0.104333D+02 -0.216808D+02  0.374882D+01 -0.280300D+01  0.449791D+01
      2  -0.221478D+02  0.384419D+02 -0.473931D+01  0.576929D+01 -0.676126D+01
      3   0.117145D+02 -0.167611D+02  0.990497D+00 -0.296629D+01  0.226336D+01
      4   0.275655D+02 -0.346865D+02  0.551528D+01 -0.538532D+01  0.622914D+01
      5  -0.533925D+01  0.568008D+01 -0.441733D+01  0.701282D+00 -0.303316D+01
      6   0.595071D+01 -0.707405D+01  0.674979D+01  0.477175D+00  0.425982D+01
                81            82            83            84            85 
      1  -0.136702D+01 -0.648062D+01 -0.113428D+02  0.326578D+01 -0.878367D+01
      2   0.272239D+01  0.973562D+01  0.165596D+02 -0.332259D+01  0.116476D+02
      3  -0.135537D+01 -0.325500D+01 -0.521680D+01  0.568067D-01 -0.286395D+01
      4  -0.324850D+01  0.866336D+01  0.166429D+02 -0.372894D+01  0.987543D+01
      5   0.170258D+01 -0.145248D+01 -0.246717D+01  0.271142D+01 -0.165966D+01
      6  -0.254126D+01 -0.317194D+01 -0.495145D+01  0.370641D+01 -0.342241D+01
                86            87            88            89            90 
      1  -0.491761D+02  0.120277D+02  0.286821D+01  0.129891D+02 -0.413139D+01
      2   0.674048D+02 -0.131066D+02 -0.389832D+01 -0.163294D+02  0.479654D+01
      3  -0.182287D+02  0.107894D+01  0.103011D+01  0.334028D+01 -0.665148D+00
      4   0.220816D+02 -0.472692D+01 -0.321208D+01 -0.548083D+01  0.300347D+01
      5  -0.227781D+01  0.186099D+01  0.884903D+00  0.255785D+01 -0.147155D+01
      6  -0.173647D+02  0.111687D+02  0.677898D+00  0.672806D+01 -0.420776D+01
                91            92            93            94            95 
      1   0.875356D+00  0.579026D+01 -0.140347D+02  0.937260D+00 -0.100198D+02
      2   0.342634D+01 -0.531377D+00  0.776709D+00  0.605011D+01 -0.264929D+01
      3  -0.430169D+01 -0.525888D+01  0.132580D+02 -0.698737D+01  0.126691D+02
      4  -0.408825D+01 -0.195842D+02 -0.295548D+01 -0.234719D+02  0.291944D+02
      5  -0.285156D+00 -0.485025D+01 -0.207577D+02  0.888336D+00 -0.187705D+02
      6  -0.340751D+01  0.683883D+00  0.728372D+00 -0.422698D+01  0.371474D+01
                96            97            98            99           100 
      1  -0.145549D+01  0.864507D+00 -0.261602D+01 -0.186214D+02 -0.770408D+02
      2   0.178338D+01 -0.157683D+02  0.764926D+01  0.185346D+02  0.443072D+02
      3  -0.327891D+00  0.149038D+02 -0.503323D+01  0.868425D-01  0.327336D+02
      4  -0.215614D+02 -0.490625D+01 -0.222429D+02 -0.396549D+01  0.268199D+01
      5  -0.443813D+01 -0.599140D+02  0.239487D+01  0.192503D+02  0.406783D+02
      6   0.312691D+01  0.248629D+01 -0.167941D+01 -0.173858D+01  0.700257D-01
               101           102           103           104           105 
      1  -0.137006D+01  0.292555D+02 -0.894534D+01  0.349789D+02  0.675904D+01
      2   0.423694D+00 -0.825683D+01  0.232114D+01 -0.761840D+01 -0.205426D+01
      3   0.946369D+00 -0.209987D+02  0.662420D+01 -0.273605D+02 -0.470478D+01
      4   0.210222D+02  0.898564D+00  0.197905D+02 -0.281530D+01  0.267280D+02
      5   0.273036D+01  0.992798D+01  0.457071D+01  0.173669D+02  0.472680D+01
      6  -0.128049D+02 -0.156120D+01 -0.768569D+01 -0.265290D+01 -0.212731D+02
               106           107           108           109           110 
      1   0.673350D+01  0.508682D+01  0.182832D+02 -0.550068D+02 -0.220850D+02
      2   0.144986D+02 -0.393808D+01 -0.226524D+02  0.177109D+02  0.855873D+00
      3  -0.212321D+02 -0.114875D+01  0.436924D+01  0.372959D+02  0.212292D+02
      4  -0.635206D+00  0.232409D+02  0.242732D+01 -0.394434D+02 -0.238851D+02
      5   0.380776D+02 -0.106615D+00 -0.305731D+02  0.103895D+02  0.214077D+01
      6  -0.266530D+01 -0.158648D+02 -0.416778D+01  0.158567D+01  0.362105D+01
               111           112           113           114           115 
      1   0.694281D+01 -0.300866D+02 -0.144154D+02  0.104757D+02  0.310597D+02
      2  -0.368729D+01  0.569715D+01  0.175171D+01 -0.193863D-01 -0.109771D+02
      3  -0.325552D+01  0.243895D+02  0.126637D+02 -0.104563D+02 -0.200827D+02
      4   0.552740D+01 -0.142905D+02 -0.227176D+02  0.129146D+02  0.167701D+02
      5   0.519886D+00  0.123160D+01  0.966508D+01 -0.355014D+01  0.166932D+02
      6  -0.388146D+01  0.435104D+01 -0.160361D+01 -0.778379D+00  0.207695D+01
               116           117           118           119           120 
      1   0.704288D+01  0.169079D+02  0.153131D+02 -0.124877D+02  0.691405D+01
      2  -0.261959D+00 -0.135111D+01 -0.177769D+01  0.233726D+01 -0.200784D+01
      3  -0.678092D+01 -0.155568D+02 -0.135354D+02  0.101504D+02 -0.490621D+01
      4   0.192013D+02  0.331445D+01 -0.247156D+02  0.233684D+02 -0.271257D+01
      5   0.153478D+01  0.254577D+01  0.911673D+01 -0.211716D+01  0.111183D+02
      6  -0.104842D+01 -0.211808D+01 -0.224417D+01  0.124110D+01 -0.112326D+01
               121           122           123           124           125 
      1  -0.194592D+02  0.442525D+01 -0.119646D+01  0.891595D+01  0.212101D+00
      2   0.506401D+01  0.118511D+02 -0.273002D+01 -0.323808D+01 -0.352676D+01
      3   0.143952D+02 -0.162764D+02  0.392647D+01 -0.567787D+01  0.331466D+01
      4   0.241944D+02 -0.447823D+02  0.112030D+02 -0.449680D+01  0.144901D+02
      5  -0.306393D+01  0.101978D+02 -0.109834D+02  0.139739D+02 -0.941904D+01
      6   0.131767D+01 -0.371735D+01  0.440077D+01 -0.263195D+01  0.631575D+01
               126           127           128           129           130 
      1   0.431872D+01 -0.100715D+01  0.838814D+01 -0.114186D+02  0.114344D+02
      2  -0.197260D+01 -0.536643D+00 -0.338920D+01  0.436265D+00 -0.694406D+01
      3  -0.234612D+01  0.154380D+01 -0.499894D+01  0.109823D+02 -0.449039D+01
      4  -0.101820D+02  0.428983D+01 -0.626571D+01  0.264198D+01 -0.617369D+00
      5   0.658430D+01 -0.170505D+01 -0.476265D+00 -0.499580D+01 -0.822851D+01
      6  -0.341010D+01 -0.399201D+01  0.592063D+01 -0.295329D+01  0.175492D+01
               131           132           133           134           135 
      1  -0.176252D+02  0.110518D+02 -0.574698D+01  0.719759D+01 -0.144086D+02
      2   0.578963D+01  0.321462D+01  0.176804D+01  0.175998D+01 -0.235123D+01
      3   0.118356D+02 -0.142665D+02  0.397894D+01 -0.895756D+01  0.167599D+02
      4   0.232566D+02 -0.150943D+02 -0.113019D+00 -0.111614D+02  0.944767D+01
      5  -0.106541D+02  0.160540D+02  0.276025D+01  0.714728D+01 -0.109256D+02
      6  -0.171129D+02  0.138338D+02 -0.302291D+00  0.113034D+02 -0.864723D+01
               136           137           138           139           140 
      1   0.113501D+03 -0.126450D+01 -0.209465D+02  0.239157D+01  0.587550D+01
      2  -0.681192D+02  0.486797D+00  0.192597D+02 -0.251725D+01 -0.417775D+01
      3  -0.453813D+02  0.777702D+00  0.168683D+01  0.125680D+00 -0.169776D+01
      4  -0.629356D+01  0.110915D+02  0.234826D+01  0.138846D+02  0.201008D+00
      5  -0.651965D+02  0.167297D+01  0.302850D+02 -0.233850D+01 -0.714833D+01
      6   0.273521D+01 -0.383621D+01 -0.154548D+01 -0.415874D+01 -0.367749D-01
               141           142           143           144           145 
      1  -0.938171D+00 -0.999486D+01 -0.142731D+01  0.986317D+01  0.111797D+00
      2   0.139332D+01  0.102390D+02  0.553144D+00 -0.803478D+01 -0.107376D+01
      3  -0.455149D+00 -0.244127D+00  0.874166D+00 -0.182839D+01  0.961963D+00
      4  -0.592673D+01 -0.807873D+00 -0.404306D+01  0.407430D-01 -0.410209D+01
      5   0.154707D+01  0.196820D+02  0.870967D+00 -0.930158D+01 -0.400613D+01
      6   0.432317D+01 -0.177795D-03  0.307500D+01  0.449971D+00  0.446143D+01
               146           147           148           149           150 
      1  -0.996570D+01 -0.136744D+02 -0.854900D+01 -0.217695D+02 -0.164420D+02
      2   0.423933D+01  0.209156D+01  0.575072D+01  0.101906D+02  0.253885D+00
      3   0.572637D+01  0.115829D+02  0.279828D+01  0.115789D+02  0.161881D+02
      4  -0.504951D+01 -0.251474D+01  0.285674D+01 -0.272027D+02 -0.214675D+02
      5   0.282014D-01 -0.418817D+01  0.809174D+01 -0.168202D+02 -0.214456D+02
      6   0.676693D+01  0.497796D+01  0.152633D+00  0.229479D+02  0.207728D+02
               151           152           153           154           155 
      1  -0.518780D+01 -0.119895D+02 -0.211805D+02  0.140579D+03  0.377576D+02
      2   0.236733D+01 -0.299447D+00 -0.240089D+01 -0.584573D+02 -0.897085D+01
      3   0.282048D+01  0.122890D+02  0.235814D+02 -0.821216D+02 -0.287868D+02
      4   0.274061D+01 -0.154611D+02 -0.155823D+02  0.683765D+02  0.449794D+02
      5   0.395719D+01 -0.136261D+02 -0.205766D+02  0.154752D+01  0.211810D+01
      6  -0.400471D+00  0.160593D+02  0.171099D+02 -0.212191D+01 -0.719709D+00
               156           157           158           159           160 
      1  -0.102190D+02  0.458776D+02  0.308244D+02 -0.537136D+01 -0.118171D+02
      2   0.139343D+01 -0.595349D+01  0.535532D+01 -0.152222D+01  0.216787D+01
      3   0.882555D+01 -0.399241D+02 -0.361797D+02  0.689358D+01  0.964922D+01
      4  -0.222063D+01  0.653326D+02  0.608568D+02 -0.877737D+01 -0.797312D+01
      5   0.264818D+02 -0.213837D+01 -0.393925D+01  0.157954D+02  0.291588D+02
      6   0.680355D+01  0.555442D+00  0.633765D+00  0.808060D+01  0.901061D+01
               161           162           163           164           165 
      1  -0.331538D+01  0.169609D+02  0.306647D+02  0.138053D+02  0.103080D+02
      2  -0.230210D+01 -0.804907D+01 -0.180709D+02 -0.388214D+01 -0.766569D+01
      3   0.561748D+01 -0.891185D+01 -0.125938D+02 -0.992314D+01 -0.264231D+01
      4  -0.122952D+02  0.153384D+02  0.247366D+02  0.139547D+02  0.178813D+01
      5   0.136191D+02 -0.123196D+02  0.198733D+02  0.304477D+01  0.152952D+02
      6   0.747492D+01 -0.235060D+01  0.101475D+02  0.184650D+01  0.535402D+00
               166           167           168           169           170 
      1   0.180303D+02 -0.450054D+01 -0.104163D+02 -0.652085D+01 -0.805977D+01
      2  -0.806914D+01  0.407275D+01  0.322557D+01 -0.172054D+01  0.177448D+01
      3  -0.996115D+01  0.427795D+00  0.719074D+01  0.824139D+01  0.628530D+01
      4   0.163499D+02  0.103951D+02  0.114904D+02 -0.282961D+01  0.186260D+01
      5   0.106785D+02  0.132584D+02  0.115987D+02  0.145859D+02  0.696100D+01
      6   0.361164D+01  0.914114D+01  0.128290D+02  0.130335D+01  0.102988D+02
               171           172           173           174           175 
      1  -0.256261D+02 -0.341382D+02 -0.847442D+01  0.908635D+01 -0.188814D+02
      2  -0.139191D+02  0.159894D+02  0.264086D+01  0.172888D+01  0.102050D+02
      3   0.395452D+02  0.181488D+02  0.583357D+01 -0.108152D+02  0.867636D+01
      4   0.509509D+01 -0.218255D+02 -0.100652D+02 -0.848805D+00 -0.146345D+02
      5   0.425810D+02 -0.129010D+02 -0.440668D+01 -0.101437D+02 -0.965347D+01
      6   0.127319D+02 -0.723278D+01 -0.450251D+01 -0.291274D+01 -0.479897D+01
               176           177           178           179           180 
      1  -0.974051D+01  0.326491D+01  0.183033D+01  0.127497D+01 -0.936543D+01
      2   0.459664D+01  0.251148D+01  0.381612D+01  0.268058D+00  0.161018D+01
      3   0.514387D+01 -0.577639D+01 -0.564645D+01 -0.154302D+01  0.775525D+01
      4  -0.636452D+01  0.945564D+00 -0.437258D+01 -0.395428D+00 -0.431033D+01
      5  -0.490765D+00 -0.840192D+01 -0.474491D+01 -0.194346D+01  0.240033D+01
      6  -0.300441D+01  0.117695D+01 -0.254333D+01  0.138298D+01 -0.176292D+01
               181           182           183           184           185 
      1   0.316212D+01  0.635835D+02 -0.142166D+02 -0.734437D+02  0.352906D+02
      2  -0.363957D+01 -0.425756D+02  0.368523D+01  0.481420D+02 -0.272231D+02
      3   0.477443D+00 -0.210079D+02  0.105313D+02  0.253016D+02 -0.806757D+01
      4   0.359072D+02  0.328418D+02 -0.830982D+01  0.349207D+02  0.223745D+02
      5  -0.463576D+01 -0.104832D+02  0.186171D+02 -0.101470D+01 -0.140711D+02
      6  -0.278210D+01  0.475471D+01 -0.120844D+02 -0.105310D+02  0.929090D+01
               186           187           188           189           190 
      1  -0.515153D+01  0.195094D+02 -0.141180D+02  0.239000D+01  0.153890D+03
      2   0.502680D+01 -0.206804D+02  0.138146D+02 -0.851054D+01 -0.869124D+02
      3   0.124723D+00  0.117102D+01  0.303366D+00  0.612054D+01 -0.669777D+02
      4  -0.137738D+02 -0.611128D+01 -0.153160D+02 -0.112573D+02 -0.212520D+02
      5  -0.729378D+01  0.271264D+02 -0.127741D+02  0.838138D+01  0.869050D+01
      6   0.411391D+01 -0.132284D+02  0.874319D+01  0.165028D+01  0.270611D+01
               191           192           193           194           195 
      1  -0.452152D+02  0.335151D+01  0.586324D+00 -0.288862D+02  0.128163D+02
      2   0.287204D+02 -0.138436D+01 -0.480875D+01  0.288492D+02 -0.149186D+02
      3   0.164948D+02 -0.196715D+01  0.422242D+01  0.369169D-01  0.210234D+01
      4   0.331045D+02 -0.447102D+01 -0.272004D+02 -0.592070D+02  0.145431D+02
      5  -0.569257D+01  0.980250D+01  0.169581D+02  0.150263D+02 -0.530609D+01
      6   0.411095D+00  0.590224D+01  0.566173D+01 -0.988473D+01 -0.261312D+01
               196           197           198           199           200 
      1  -0.336282D+01  0.148797D+02  0.216043D+02 -0.117340D+03  0.135167D+02
      2   0.341336D+01 -0.119912D+02 -0.196405D+02  0.574021D+02 -0.493548D+01
      3  -0.505355D-01 -0.288856D+01 -0.196381D+01  0.599381D+02 -0.858121D+01
      4   0.199625D+02  0.939601D+01 -0.626488D+01  0.158524D+02 -0.350024D+02
      5   0.469937D+02 -0.125185D+02  0.192423D+01 -0.460689D+01  0.145994D+02
      6  -0.117877D+01  0.736062D+01  0.408860D+01  0.652711D+01 -0.181002D+01
               201           202           203           204           205 
      1   0.331457D+01  0.931472D+02 -0.170578D+02 -0.435244D+01 -0.150524D+02
      2  -0.228138D+01 -0.592386D+02  0.114353D+01  0.639431D+01  0.124914D+02
      3  -0.103319D+01 -0.339087D+02  0.159142D+02 -0.204187D+01  0.256096D+01
      4   0.103623D+02 -0.125024D+02  0.279791D+02  0.390870D+01  0.571358D+01
      5   0.862576D+00  0.444452D+01  0.285859D+01  0.109061D+02  0.533461D+01
      6  -0.377400D+00  0.601875D+01  0.115528D+02  0.488832D+01  0.213064D+01
               206           207           208           209           210 
      1   0.169777D+01 -0.157906D+02 -0.107094D+02  0.393293D+02 -0.582201D+01
      2   0.672494D+01 -0.241823D+01  0.441454D+01 -0.241488D+02  0.232017D+01
      3  -0.842271D+01  0.182088D+02  0.629489D+01 -0.151806D+02  0.350183D+01
      4   0.100812D+02  0.226402D+02  0.292622D+02  0.256175D+01  0.350508D+01
      5   0.239042D+02 -0.143226D+02 -0.798193D+01  0.409499D+01  0.235256D+02
      6   0.123369D+02 -0.140894D+01  0.440085D+00 -0.116041D+01 -0.695401D+01
               211           212           213           214           215 
      1   0.651052D+01  0.930907D+01 -0.367206D+01  0.546708D+00 -0.387575D+01
      2  -0.520338D+00 -0.292998D+01  0.543490D+01  0.951960D+00  0.363795D+01
      3  -0.599018D+01 -0.637909D+01 -0.176284D+01 -0.149867D+01  0.237799D+00
      4   0.317539D+02  0.115641D+02 -0.601278D+01 -0.670346D+01 -0.500419D+00
      5  -0.752744D+01 -0.512222D+01 -0.124810D+02  0.102555D+02  0.456365D+01
      6  -0.130275D+01  0.200250D+01  0.814007D+01  0.225832D+01  0.250412D+01
               216           217           218           219           220 
      1   0.281674D+01 -0.811011D+02 -0.425133D+02  0.149565D+02 -0.540539D+02
      2  -0.188503D+01  0.477444D+02  0.212854D+02 -0.776008D+01  0.269735D+02
      3  -0.931712D+00  0.333568D+02  0.212279D+02 -0.719641D+01  0.270804D+02
      4   0.630685D+01 -0.406952D+02  0.114018D+02  0.242432D+01 -0.159940D+02
      5  -0.171557D+01  0.143655D+02  0.266379D+01 -0.743991D+01  0.740355D+01
      6  -0.296324D+01 -0.129859D+01 -0.999942D+00  0.182353D+01  0.225336D+01
               221           222           223           224           225 
      1   0.103224D+02  0.110419D+02  0.163370D+02  0.832696D+01  0.239096D+01
      2  -0.986016D+01 -0.130599D+02 -0.404349D+01 -0.104100D+02 -0.165736D+01
      3  -0.462205D+00  0.201798D+01 -0.122935D+02  0.208309D+01 -0.733605D+00
      4   0.316131D+02  0.227192D+02  0.544714D+01  0.166422D+02  0.427717D+02
      5   0.229802D+02  0.673744D+02 -0.249095D+02  0.465363D+02 -0.410378D+02
      6  -0.890319D+01 -0.191832D+02  0.103913D+02 -0.145655D+02  0.773572D+01
               226           227           228           229           230 
      1  -0.735467D+01 -0.159007D+02  0.452879D+01 -0.776194D+01 -0.446101D+02
      2   0.718897D+01  0.147319D+02 -0.301656D+01  0.735023D+01  0.505323D+02
      3   0.165704D+00  0.116878D+01 -0.151223D+01  0.411706D+00 -0.592221D+01
      4   0.250303D+00  0.518765D+01 -0.799074D+00  0.247570D+01 -0.960971D+01
      5   0.227554D+00 -0.529703D+00  0.110808D+01  0.610759D-01  0.381369D+01
      6  -0.235752D+01 -0.418176D+01  0.290376D+01 -0.206604D+01 -0.149818D+02
               231           232           233           234           235 
      1   0.112310D+02  0.266254D+01  0.121547D+02 -0.409125D+01  0.328209D+02
      2  -0.938601D+01 -0.229620D+01 -0.121968D+02  0.385370D+01 -0.106008D+02
      3  -0.184496D+01 -0.366334D+00  0.421259D-01  0.237558D+00 -0.222201D+02
      4   0.262849D+01 -0.511306D-02  0.270069D+01  0.103137D+01 -0.306311D+02
      5  -0.241502D+01  0.161356D+01 -0.282301D+00 -0.193906D+00  0.582103D+01
      6   0.924080D+01  0.662991D+00  0.571142D+01 -0.364268D+01 -0.212143D+01
               236           237           238           239           240 
      1  -0.130378D+02  0.134605D+01 -0.155909D+02  0.436737D+01 -0.869857D+00
      2   0.154756D+00 -0.237097D+00 -0.324100D+01  0.149458D+02 -0.808239D+00
      3   0.128830D+02 -0.110895D+01  0.188319D+02 -0.193132D+02  0.167810D+01
      4   0.250064D+02 -0.364510D+01  0.370942D+02 -0.424810D+02  0.672719D+01
      5  -0.473178D+01  0.373994D+01 -0.883929D+01  0.869533D+01 -0.619010D+01
      6   0.217052D+01 -0.211144D+01  0.539580D+01 -0.641944D+01  0.536372D+01
               241           242           243           244           245 
      1   0.150893D+01 -0.794603D+00 -0.131981D+01  0.521993D+01  0.862968D+01
      2   0.219574D+01 -0.254324D+01  0.159542D+01  0.238701D+01  0.587350D+00
      3  -0.370467D+01  0.333784D+01 -0.275614D+00 -0.760695D+01 -0.921702D+01
      4  -0.776782D+01  0.827295D+01 -0.321083D+01  0.245562D+02  0.227820D+02
      5   0.576380D-01 -0.289568D+01  0.203465D+01 -0.574749D+01 -0.482959D+01
      6  -0.276774D+00  0.274507D+01 -0.184996D+01 -0.289944D+01 -0.264533D+01
               246           247           248           249           250 
      1  -0.207133D+01  0.599461D+01 -0.842889D+01  0.198717D+01 -0.158745D+01
      2   0.735578D+00  0.624187D+01  0.233585D+02 -0.306297D+01 -0.394392D+00
      3   0.133575D+01 -0.122365D+02 -0.149296D+02  0.107580D+01  0.198184D+01
      4  -0.587637D+01  0.303859D+02  0.496935D+02 -0.118524D+02 -0.837716D+01
      5   0.518281D+01 -0.657688D+01 -0.100863D+02  0.830873D+01  0.427027D+01
      6   0.270590D+01 -0.457089D+01 -0.880889D+01  0.738611D+01  0.367724D+01
               251           252           253           254           255 
      1   0.137333D+01 -0.106235D+01  0.441887D+01 -0.742435D+01 -0.120850D+02
      2  -0.439229D+01  0.240192D+01 -0.128680D+01  0.410746D+01  0.596732D+01
      3   0.301896D+01 -0.133957D+01 -0.313207D+01  0.331689D+01  0.611772D+01
      4  -0.135945D+02  0.485942D+01 -0.454321D+01  0.648626D-01  0.205004D+01
      5   0.282477D+01 -0.293510D+01 -0.107887D+02  0.116334D+01 -0.306203D+01
      6   0.401449D+01 -0.351581D+01  0.311286D+01  0.778037D+00  0.197489D+01
               256           257           258           259           260 
      1  -0.173536D+02  0.755725D+00 -0.129809D+01 -0.271732D+02  0.130702D+01
      2   0.456522D+01  0.123166D+02  0.553147D+01  0.122083D+02  0.351445D+01
      3   0.127884D+02 -0.130723D+02 -0.423338D+01  0.149649D+02 -0.482147D+01
      4   0.317069D+02 -0.553053D+02 -0.297520D+02  0.196545D+02 -0.316526D+02
      5   0.140774D+02 -0.305478D+02 -0.322689D+02  0.226996D+02 -0.320150D+02
      6  -0.684829D+01  0.140932D+02  0.128530D+02 -0.815268D+01  0.136987D+02
               261           262           263           264           265 
      1  -0.130762D+01  0.128290D+02 -0.280349D+01  0.142532D+02 -0.566711D+01
      2  -0.685900D+00 -0.798854D+01  0.170998D+01 -0.644189D+01  0.189974D+01
      3   0.199352D+01 -0.484044D+01  0.109350D+01 -0.781129D+01  0.376737D+01
      4  -0.297829D+02 -0.245370D+01  0.270377D+00 -0.586671D+01  0.185647D+02
      5  -0.332638D+02  0.155186D+02 -0.507423D+01  0.461795D+01 -0.133364D+02
      6   0.125766D+02 -0.364496D+01  0.105090D+01  0.765873D-01  0.405457D+01
               266           267           268           269           270 
      1   0.311953D+01 -0.419886D+01  0.391326D+02 -0.788438D+01  0.766461D+01
      2   0.924035D+00  0.138152D+01 -0.244439D+02  0.435921D+01 -0.142111D+02
      3  -0.404356D+01  0.281734D+01 -0.146887D+02  0.352517D+01  0.654652D+01
      4  -0.214851D+02  0.157857D+02 -0.209342D+02  0.200177D+02 -0.258927D+02
      5   0.165450D+02 -0.267727D+02  0.415643D+02 -0.291838D+02  0.764806D+02
      6  -0.579878D+01  0.106484D+02 -0.935370D+01  0.109763D+02 -0.167015D+02
               271           272           273           274           275 
      1   0.200067D+03  0.189320D+02 -0.144323D+02  0.592825D+02  0.205790D+02
      2  -0.106054D+03 -0.110411D+02  0.825847D+01 -0.322972D+02 -0.104763D+02
      3  -0.940129D+02 -0.789094D+01  0.617388D+01 -0.269853D+02 -0.101027D+02
      4   0.154990D+02  0.157304D+02 -0.957729D+00  0.241886D+02  0.146491D+02
      5  -0.151557D+02 -0.113782D+01  0.182708D+02 -0.404707D+01 -0.463509D+01
      6   0.219969D+01  0.753304D-01 -0.103035D+01  0.173245D+00  0.601787D+00
               276           277           278           279 
      1  -0.470114D+01 -0.239605D+02 -0.295437D+01  0.185576D+02
      2   0.323184D+01  0.135241D+02  0.251618D+01 -0.110964D+02
      3   0.146930D+01  0.104365D+02  0.438194D+00 -0.746118D+01
      4  -0.458600D+01 -0.174083D+01 -0.533181D+01 -0.107172D+01
      5   0.462695D+01  0.261681D+02 -0.113737D+01 -0.356097D+01
      6   0.152610D+01 -0.124166D+01  0.244616D+01 -0.200450D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 02:40:54 2021, MaxMem=  5368709120 cpu:          140054.4 elap:           17521.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51743 -19.51592 -19.46178 -10.57528 -10.51743
 Alpha  occ. eigenvalues --  -10.50090 -10.47165 -10.46791 -10.46708 -10.46298
 Alpha  occ. eigenvalues --  -10.46228 -10.46049 -10.46030 -10.46015 -10.45769
 Alpha  occ. eigenvalues --  -10.44743 -10.43578  -1.24734  -1.22126  -1.15734
 Alpha  occ. eigenvalues --   -1.04149  -0.99507  -0.94827  -0.93110  -0.88916
 Alpha  occ. eigenvalues --   -0.88577  -0.83621  -0.79836  -0.77579  -0.74570
 Alpha  occ. eigenvalues --   -0.74462  -0.72699  -0.67070  -0.65988  -0.65256
 Alpha  occ. eigenvalues --   -0.63025  -0.60728  -0.60171  -0.58301  -0.58248
 Alpha  occ. eigenvalues --   -0.57453  -0.56873  -0.54784  -0.54542  -0.54059
 Alpha  occ. eigenvalues --   -0.53366  -0.52761  -0.51381  -0.50223  -0.48690
 Alpha  occ. eigenvalues --   -0.47622  -0.47503  -0.46371  -0.45333  -0.43956
 Alpha  occ. eigenvalues --   -0.43593  -0.43134  -0.40360  -0.38547  -0.34475
 Alpha  occ. eigenvalues --   -0.30813
 Alpha virt. eigenvalues --   -0.01810  -0.01318  -0.00678   0.00025   0.00108
 Alpha virt. eigenvalues --    0.00292   0.00671   0.01043   0.01634   0.01926
 Alpha virt. eigenvalues --    0.02307   0.03180   0.03630   0.03928   0.04260
 Alpha virt. eigenvalues --    0.04696   0.04941   0.05727   0.06011   0.06621
 Alpha virt. eigenvalues --    0.07018   0.07385   0.08110   0.08435   0.08575
 Alpha virt. eigenvalues --    0.08764   0.09412   0.09547   0.09703   0.10159
 Alpha virt. eigenvalues --    0.10544   0.11049   0.11281   0.11673   0.11846
 Alpha virt. eigenvalues --    0.12061   0.12660   0.12834   0.12959   0.13239
 Alpha virt. eigenvalues --    0.13353   0.13661   0.13979   0.14393   0.15143
 Alpha virt. eigenvalues --    0.15547   0.15770   0.16103   0.16190   0.16952
 Alpha virt. eigenvalues --    0.17461   0.17866   0.18010   0.18255   0.18777
 Alpha virt. eigenvalues --    0.19071   0.19269   0.19993   0.20088   0.21216
 Alpha virt. eigenvalues --    0.21960   0.22571   0.23024   0.23883   0.24434
 Alpha virt. eigenvalues --    0.24651   0.25249   0.25399   0.25688   0.26095
 Alpha virt. eigenvalues --    0.26461   0.26820   0.26898   0.27339   0.27644
 Alpha virt. eigenvalues --    0.27733   0.28019   0.28189   0.28684   0.28981
 Alpha virt. eigenvalues --    0.29352   0.29486   0.30003   0.30515   0.30921
 Alpha virt. eigenvalues --    0.31295   0.32057   0.32283   0.32676   0.33002
 Alpha virt. eigenvalues --    0.33148   0.33365   0.33646   0.34015   0.34537
 Alpha virt. eigenvalues --    0.34799   0.35188   0.35436   0.35988   0.36263
 Alpha virt. eigenvalues --    0.36692   0.37121   0.37455   0.38039   0.38397
 Alpha virt. eigenvalues --    0.38793   0.39516   0.39929   0.40107   0.40473
 Alpha virt. eigenvalues --    0.40870   0.41191   0.42151   0.42396   0.42848
 Alpha virt. eigenvalues --    0.43173   0.43779   0.43862   0.44821   0.45491
 Alpha virt. eigenvalues --    0.45574   0.46324   0.46345   0.47253   0.47363
 Alpha virt. eigenvalues --    0.47879   0.48847   0.49410   0.49689   0.49875
 Alpha virt. eigenvalues --    0.50975   0.51306   0.51503   0.51808   0.52388
 Alpha virt. eigenvalues --    0.52724   0.53548   0.54250   0.54285   0.54790
 Alpha virt. eigenvalues --    0.55373   0.55690   0.56082   0.56479   0.56792
 Alpha virt. eigenvalues --    0.56880   0.57306   0.57544   0.58200   0.58636
 Alpha virt. eigenvalues --    0.59018   0.59336   0.60256   0.60708   0.60917
 Alpha virt. eigenvalues --    0.61170   0.62131   0.62255   0.62577   0.63025
 Alpha virt. eigenvalues --    0.63163   0.63577   0.63747   0.64734   0.65420
 Alpha virt. eigenvalues --    0.65626   0.66304   0.66403   0.66832   0.67157
 Alpha virt. eigenvalues --    0.67924   0.68122   0.68694   0.68861   0.69435
 Alpha virt. eigenvalues --    0.70049   0.70189   0.70610   0.70915   0.71230
 Alpha virt. eigenvalues --    0.72086   0.72194   0.72791   0.73217   0.73811
 Alpha virt. eigenvalues --    0.73831   0.74472   0.75234   0.75375   0.76319
 Alpha virt. eigenvalues --    0.76786   0.77538   0.78214   0.78642   0.79591
 Alpha virt. eigenvalues --    0.79880   0.80312   0.80719   0.81159   0.81452
 Alpha virt. eigenvalues --    0.81951   0.82439   0.82769   0.82912   0.83860
 Alpha virt. eigenvalues --    0.84269   0.84696   0.86022   0.86443   0.86683
 Alpha virt. eigenvalues --    0.86930   0.87846   0.88666   0.89603   0.89888
 Alpha virt. eigenvalues --    0.90489   0.90951   0.91115   0.91969   0.92771
 Alpha virt. eigenvalues --    0.92972   0.93524   0.94778   0.95943   0.96131
 Alpha virt. eigenvalues --    0.97499   0.97718   0.98702   0.99697   1.00196
 Alpha virt. eigenvalues --    1.02009   1.02548   1.03707   1.04217   1.04851
 Alpha virt. eigenvalues --    1.05919   1.07031   1.08009   1.09400   1.09630
 Alpha virt. eigenvalues --    1.10302   1.11661   1.12211   1.13519   1.14424
 Alpha virt. eigenvalues --    1.14755   1.15443   1.16811   1.18708   1.19002
 Alpha virt. eigenvalues --    1.19132   1.20852   1.22630   1.23204   1.24181
 Alpha virt. eigenvalues --    1.24515   1.25084   1.25815   1.26233   1.27339
 Alpha virt. eigenvalues --    1.28692   1.30449   1.31279   1.32390   1.32544
 Alpha virt. eigenvalues --    1.34902   1.35483   1.37344   1.38041   1.38392
 Alpha virt. eigenvalues --    1.38760   1.40064   1.41015   1.41603   1.42878
 Alpha virt. eigenvalues --    1.43318   1.44315   1.44784   1.45363   1.47031
 Alpha virt. eigenvalues --    1.47311   1.48315   1.49924   1.50472   1.50700
 Alpha virt. eigenvalues --    1.52302   1.52567   1.54123   1.54892   1.55005
 Alpha virt. eigenvalues --    1.55938   1.56472   1.57149   1.57931   1.59178
 Alpha virt. eigenvalues --    1.59913   1.60427   1.60649   1.62571   1.62643
 Alpha virt. eigenvalues --    1.63160   1.63964   1.64521   1.65582   1.66305
 Alpha virt. eigenvalues --    1.66648   1.68177   1.69020   1.69637   1.70317
 Alpha virt. eigenvalues --    1.70652   1.71049   1.71615   1.73109   1.74005
 Alpha virt. eigenvalues --    1.74121   1.75086   1.75337   1.75969   1.77375
 Alpha virt. eigenvalues --    1.77743   1.79701   1.79944   1.80433   1.80946
 Alpha virt. eigenvalues --    1.82125   1.82642   1.83185   1.84998   1.86125
 Alpha virt. eigenvalues --    1.87342   1.87865   1.88973   1.89683   1.90963
 Alpha virt. eigenvalues --    1.92142   1.93076   1.94510   1.95051   1.96148
 Alpha virt. eigenvalues --    1.97028   1.97220   1.98150   1.98807   1.98971
 Alpha virt. eigenvalues --    2.00437   2.01043   2.01736   2.02760   2.03409
 Alpha virt. eigenvalues --    2.04134   2.04693   2.05896   2.06195   2.06522
 Alpha virt. eigenvalues --    2.07635   2.08646   2.08904   2.10654   2.11215
 Alpha virt. eigenvalues --    2.11501   2.11924   2.13182   2.13758   2.14532
 Alpha virt. eigenvalues --    2.15954   2.16992   2.17888   2.18300   2.19267
 Alpha virt. eigenvalues --    2.20182   2.20356   2.20647   2.22605   2.23974
 Alpha virt. eigenvalues --    2.24445   2.24899   2.26884   2.28657   2.30102
 Alpha virt. eigenvalues --    2.31215   2.32212   2.33011   2.34927   2.35756
 Alpha virt. eigenvalues --    2.36217   2.37578   2.38972   2.39571   2.41969
 Alpha virt. eigenvalues --    2.42909   2.44335   2.45998   2.46745   2.49373
 Alpha virt. eigenvalues --    2.49943   2.50882   2.54528   2.56106   2.57832
 Alpha virt. eigenvalues --    2.59208   2.60325   2.61804   2.65360   2.65557
 Alpha virt. eigenvalues --    2.67984   2.68324   2.69293   2.69873   2.72285
 Alpha virt. eigenvalues --    2.73043   2.76985   2.78121   2.80226   2.83592
 Alpha virt. eigenvalues --    2.84952   2.87015   2.90257   2.90964   2.93303
 Alpha virt. eigenvalues --    2.95280   2.98780   3.01124   3.03194   3.07327
 Alpha virt. eigenvalues --    3.12971   3.21131   3.24379   3.25983   3.40334
 Alpha virt. eigenvalues --    3.41271   3.44417   3.46704   3.48466   3.49050
 Alpha virt. eigenvalues --    3.49697   3.51135   3.51778   3.55362   3.56666
 Alpha virt. eigenvalues --    3.58716   3.59680   3.61436   3.64889   3.72404
 Alpha virt. eigenvalues --    3.77378   3.81018   3.84917   3.87172   3.94134
 Alpha virt. eigenvalues --    4.05994   4.44577   4.67343
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   56.934964 -13.606616  -9.484233   1.468658  -2.089672   1.926141
     2  C  -13.606616  57.862476   1.048271   1.006433   3.752356 -11.275678
     3  C   -9.484233   1.048271  44.964262 -15.871077  -0.541896  -3.963307
     4  C    1.468658   1.006433 -15.871077  30.164753  -9.540959   3.734303
     5  C   -2.089672   3.752356  -0.541896  -9.540959  39.981311 -20.270882
     6  C    1.926141 -11.275678  -3.963307   3.734303 -20.270882  43.981115
     7  C  -13.284617  -8.501099  -2.318820  -4.939494   0.184762  -1.813332
     8  H    1.373307  -0.869203  -4.853823   1.366152   0.496807  -0.126285
     9  H    0.003966  -0.579123   0.209926   0.927770  -3.893159   2.101869
    10  H   -0.758255   0.984486  -0.135552  -0.194482   1.985290  -3.835282
    11  C    1.210320  -0.908858  -2.155068  -2.049983  -3.369323   1.123651
    12  C    0.026191  -0.016352  -0.438569  -0.280109  -0.257839   0.009199
    13  C   -0.168511   0.020131  -0.231040   0.179570  -0.450610  -0.085509
    14  H   -0.150132  -0.080207   0.272707  -0.301105   0.076513   0.117740
    15  H    0.076631  -0.050630  -0.151550  -0.082430  -0.020647   0.046935
    16  H   -0.048767   0.026072  -0.011784   0.754045  -0.091105  -0.013190
    17  H   -0.017401  -0.004497   0.253880  -0.692796   0.076019   0.000127
    18  O   -0.033535   0.016945   0.129871  -0.033736   0.021115  -0.011903
    19  O   -0.005394  -0.020889   0.077135  -0.048704  -0.024671   0.042791
    20  H    0.008578  -0.056402  -0.015240   0.012674  -0.020070   0.008397
    21  C    0.059487 -14.210290  -1.116011  -0.070812   0.234486  -0.498987
    22  C  -11.993473  -0.204901  -0.620206   0.411449   0.178322  -0.621449
    23  C   -8.212951 -11.459469  -1.247696   0.228580  -0.652880  -6.558637
    24  O    0.183904  -0.465425  -0.002424   0.002242  -0.041351  -0.047371
    25  C   -0.066982   0.152594  -0.016128   0.025073  -0.017221   0.014135
    26  H    2.164031  -0.246471   0.385010   0.074776  -0.013074  -0.091293
    27  H   -0.239118   0.086072  -0.196759   0.024826   0.011425   0.045484
    28  H   -0.161869   2.623379  -0.057972   0.061527   0.161116   0.603566
    29  H   -0.023546  -0.070299  -0.001008  -0.001208   0.001418   0.007155
    30  H   -0.025709  -0.075768   0.000281  -0.003070   0.002393   0.007473
    31  H    0.014415   0.141053  -0.001022   0.004898  -0.005663  -0.009817
               7          8          9         10         11         12
     1  C  -13.284617   1.373307   0.003966  -0.758255   1.210320   0.026191
     2  C   -8.501099  -0.869203  -0.579123   0.984486  -0.908858  -0.016352
     3  C   -2.318820  -4.853823   0.209926  -0.135552  -2.155068  -0.438569
     4  C   -4.939494   1.366152   0.927770  -0.194482  -2.049983  -0.280109
     5  C    0.184762   0.496807  -3.893159   1.985290  -3.369323  -0.257839
     6  C   -1.813332  -0.126285   2.101869  -3.835282   1.123651   0.009199
     7  C   61.453702   0.610459   0.111404  -0.318341   0.316118  -0.079333
     8  H    0.610459   3.784408  -0.044728   0.005407   0.297558   0.025547
     9  H    0.111404  -0.044728   2.967069  -0.201837   0.463276   0.019602
    10  H   -0.318341   0.005407  -0.201837   2.657093  -0.001446   0.007411
    11  C    0.316118   0.297558   0.463276  -0.001446  15.263325   0.245929
    12  C   -0.079333   0.025547   0.019602   0.007411   0.245929   5.194123
    13  C   -0.003123   0.005596   0.005349   0.001797  -2.207939  -0.117427
    14  H    0.052092  -0.005214  -0.113505   0.004098  -1.429486   0.241029
    15  H   -0.010151  -0.118626   0.005877  -0.000772  -0.388581   0.605716
    16  H   -0.004040   0.031135   0.005390   0.000459  -0.265944  -0.110709
    17  H   -0.005461   0.008451  -0.004868   0.002486   0.525870   0.086759
    18  O   -0.004689  -0.015310   0.001838  -0.000185  -0.278764   0.047263
    19  O   -0.002797  -0.002568   0.002466   0.001131   0.256706  -0.004636
    20  H    0.030722  -0.005310  -0.011215  -0.000351  -0.152170   0.010878
    21  C   -8.702126   0.353905  -0.014971   0.105765   0.035199  -0.010447
    22  C    1.858306  -0.012162  -0.004586   0.261256   0.148622   0.010749
    23  C  -15.334714  -0.084870  -0.155067   1.304340  -0.787600  -0.034899
    24  O   -0.094484   0.000538   0.000083  -0.006132  -0.001208  -0.000110
    25  C   -0.091083  -0.000361  -0.000598   0.000166   0.003050   0.000094
    26  H   -3.790928  -0.243225   0.004148  -0.000302   0.008536   0.008361
    27  H    0.791645   0.013777  -0.001591   0.002408  -0.004848  -0.001540
    28  H    0.163853   0.002074  -0.003499  -0.119604  -0.000758  -0.000578
    29  H    0.090228  -0.000390   0.000062  -0.000849   0.000250   0.000046
    30  H    0.099013  -0.000361   0.000081  -0.000883   0.000173   0.000024
    31  H   -0.063609  -0.000179  -0.000183   0.001854   0.000256   0.000015
              13         14         15         16         17         18
     1  C   -0.168511  -0.150132   0.076631  -0.048767  -0.017401  -0.033535
     2  C    0.020131  -0.080207  -0.050630   0.026072  -0.004497   0.016945
     3  C   -0.231040   0.272707  -0.151550  -0.011784   0.253880   0.129871
     4  C    0.179570  -0.301105  -0.082430   0.754045  -0.692796  -0.033736
     5  C   -0.450610   0.076513  -0.020647  -0.091105   0.076019   0.021115
     6  C   -0.085509   0.117740   0.046935  -0.013190   0.000127  -0.011903
     7  C   -0.003123   0.052092  -0.010151  -0.004040  -0.005461  -0.004689
     8  H    0.005596  -0.005214  -0.118626   0.031135   0.008451  -0.015310
     9  H    0.005349  -0.113505   0.005877   0.005390  -0.004868   0.001838
    10  H    0.001797   0.004098  -0.000772   0.000459   0.002486  -0.000185
    11  C   -2.207939  -1.429486  -0.388581  -0.265944   0.525870  -0.278764
    12  C   -0.117427   0.241029   0.605716  -0.110709   0.086759   0.047263
    13  C    8.217139   0.172173  -0.000462   0.030070  -0.091858   0.670442
    14  H    0.172173   2.513561   0.119748  -0.026081  -0.048218   0.052360
    15  H   -0.000462   0.119748   1.774866  -0.392856  -0.321064   0.037182
    16  H    0.030070  -0.026081  -0.392856   1.759125  -0.416055  -0.024699
    17  H   -0.091858  -0.048218  -0.321064  -0.416055   1.796358   0.017979
    18  O    0.670442   0.052360   0.037182  -0.024699   0.017979   7.698503
    19  O   -0.115976  -0.003381   0.007541  -0.004810   0.006770  -0.066154
    20  H    0.071113   0.036595   0.003426   0.000591  -0.003021   0.000411
    21  C    0.004608   0.009380   0.004629  -0.002208  -0.000126  -0.001792
    22  C    0.006351   0.000798  -0.000867   0.000835   0.002563  -0.000432
    23  C   -0.024493  -0.038345  -0.004591   0.002441  -0.012305   0.002560
    24  O   -0.000111  -0.000097   0.000037  -0.000015  -0.000029   0.000001
    25  C    0.000056   0.000185  -0.000007   0.000003   0.000052  -0.000003
    26  H    0.004634  -0.001933   0.011203  -0.001601   0.000345   0.000361
    27  H   -0.001338  -0.000209  -0.000891   0.000028  -0.000001  -0.000015
    28  H   -0.000371   0.000245   0.000018   0.000071  -0.000372   0.000021
    29  H    0.000031   0.000009   0.000015   0.000001   0.000004   0.000000
    30  H    0.000024   0.000011   0.000011   0.000002   0.000005  -0.000000
    31  H    0.000005   0.000015   0.000001   0.000000   0.000005  -0.000000
              19         20         21         22         23         24
     1  C   -0.005394   0.008578   0.059487 -11.993473  -8.212951   0.183904
     2  C   -0.020889  -0.056402 -14.210290  -0.204901 -11.459469  -0.465425
     3  C    0.077135  -0.015240  -1.116011  -0.620206  -1.247696  -0.002424
     4  C   -0.048704   0.012674  -0.070812   0.411449   0.228580   0.002242
     5  C   -0.024671  -0.020070   0.234486   0.178322  -0.652880  -0.041351
     6  C    0.042791   0.008397  -0.498987  -0.621449  -6.558637  -0.047371
     7  C   -0.002797   0.030722  -8.702126   1.858306 -15.334714  -0.094484
     8  H   -0.002568  -0.005310   0.353905  -0.012162  -0.084870   0.000538
     9  H    0.002466  -0.011215  -0.014971  -0.004586  -0.155067   0.000083
    10  H    0.001131  -0.000351   0.105765   0.261256   1.304340  -0.006132
    11  C    0.256706  -0.152170   0.035199   0.148622  -0.787600  -0.001208
    12  C   -0.004636   0.010878  -0.010447   0.010749  -0.034899  -0.000110
    13  C   -0.115976   0.071113   0.004608   0.006351  -0.024493  -0.000111
    14  H   -0.003381   0.036595   0.009380   0.000798  -0.038345  -0.000097
    15  H    0.007541   0.003426   0.004629  -0.000867  -0.004591   0.000037
    16  H   -0.004810   0.000591  -0.002208   0.000835   0.002441  -0.000015
    17  H    0.006770  -0.003021  -0.000126   0.002563  -0.012305  -0.000029
    18  O   -0.066154   0.000411  -0.001792  -0.000432   0.002560   0.000001
    19  O    7.926869   0.233478  -0.001955   0.000220  -0.002312   0.000000
    20  H    0.233478   0.679712   0.003753   0.001065  -0.020341  -0.000041
    21  C   -0.001955   0.003753  32.826546  -4.967530   2.082331   0.865441
    22  C    0.000220   0.001065  -4.967530  27.373733  -5.986635  -0.620014
    23  C   -0.002312  -0.020341   2.082331  -5.986635  56.834148   0.253967
    24  O    0.000000  -0.000041   0.865441  -0.620014   0.253967   8.463359
    25  C    0.000020  -0.000036   0.052819   0.064150  -0.345586   0.214342
    26  H   -0.000445  -0.000275   1.382089  -0.377837   0.003866   0.002729
    27  H   -0.000057   0.000039  -2.934942   1.252190   0.222644  -0.127944
    28  H   -0.000178   0.000297  -0.353316   0.362370  -4.007045  -0.093402
    29  H   -0.000001   0.000006   0.068411  -0.334465   0.145245   0.136198
    30  H    0.000002   0.000012   0.082634  -0.354568   0.145691   0.138417
    31  H    0.000002  -0.000003  -0.188132   0.764232  -0.361267  -0.470753
              25         26         27         28         29         30
     1  C   -0.066982   2.164031  -0.239118  -0.161869  -0.023546  -0.025709
     2  C    0.152594  -0.246471   0.086072   2.623379  -0.070299  -0.075768
     3  C   -0.016128   0.385010  -0.196759  -0.057972  -0.001008   0.000281
     4  C    0.025073   0.074776   0.024826   0.061527  -0.001208  -0.003070
     5  C   -0.017221  -0.013074   0.011425   0.161116   0.001418   0.002393
     6  C    0.014135  -0.091293   0.045484   0.603566   0.007155   0.007473
     7  C   -0.091083  -3.790928   0.791645   0.163853   0.090228   0.099013
     8  H   -0.000361  -0.243225   0.013777   0.002074  -0.000390  -0.000361
     9  H   -0.000598   0.004148  -0.001591  -0.003499   0.000062   0.000081
    10  H    0.000166  -0.000302   0.002408  -0.119604  -0.000849  -0.000883
    11  C    0.003050   0.008536  -0.004848  -0.000758   0.000250   0.000173
    12  C    0.000094   0.008361  -0.001540  -0.000578   0.000046   0.000024
    13  C    0.000056   0.004634  -0.001338  -0.000371   0.000031   0.000024
    14  H    0.000185  -0.001933  -0.000209   0.000245   0.000009   0.000011
    15  H   -0.000007   0.011203  -0.000891   0.000018   0.000015   0.000011
    16  H    0.000003  -0.001601   0.000028   0.000071   0.000001   0.000002
    17  H    0.000052   0.000345  -0.000001  -0.000372   0.000004   0.000005
    18  O   -0.000003   0.000361  -0.000015   0.000021   0.000000  -0.000000
    19  O    0.000020  -0.000445  -0.000057  -0.000178  -0.000001   0.000002
    20  H   -0.000036  -0.000275   0.000039   0.000297   0.000006   0.000012
    21  C    0.052819   1.382089  -2.934942  -0.353316   0.068411   0.082634
    22  C    0.064150  -0.377837   1.252190   0.362370  -0.334465  -0.354568
    23  C   -0.345586   0.003866   0.222644  -4.007045   0.145245   0.145691
    24  O    0.214342   0.002729  -0.127944  -0.093402   0.136198   0.138417
    25  C    4.256024   0.014248  -0.118566   0.035652   0.360409   0.362007
    26  H    0.014248   2.676771  -0.213657   0.008794   0.003521   0.003360
    27  H   -0.118566  -0.213657   3.424392  -0.030873  -0.051994  -0.052652
    28  H    0.035652   0.008794  -0.030873   2.579916   0.009753   0.009925
    29  H    0.360409   0.003521  -0.051994   0.009753   1.334025  -0.101179
    30  H    0.362007   0.003360  -0.052652   0.009925  -0.101179   1.336235
    31  H    0.203678  -0.001091   0.022515  -0.014740  -0.460158  -0.461585
              31
     1  C    0.014415
     2  C    0.141053
     3  C   -0.001022
     4  C    0.004898
     5  C   -0.005663
     6  C   -0.009817
     7  C   -0.063609
     8  H   -0.000179
     9  H   -0.000183
    10  H    0.001854
    11  C    0.000256
    12  C    0.000015
    13  C    0.000005
    14  H    0.000015
    15  H    0.000001
    16  H    0.000000
    17  H    0.000005
    18  O   -0.000000
    19  O    0.000002
    20  H   -0.000003
    21  C   -0.188132
    22  C    0.764232
    23  C   -0.361267
    24  O   -0.470753
    25  C    0.203678
    26  H   -0.001091
    27  H    0.022515
    28  H   -0.014740
    29  H   -0.460158
    30  H   -0.461585
    31  H    2.261849
 Mulliken charges:
               1
     1  C    0.920188
     2  C    0.981910
     3  C    2.089840
     4  C   -0.337764
     5  C    0.137688
     6  C    1.452843
     7  C   -0.400064
     8  H   -0.992505
     9  H   -0.801244
    10  H   -0.751173
    11  C    0.103134
    12  C    0.813612
    13  C    0.109681
    14  H   -0.471346
    15  H   -0.149711
    16  H   -0.196406
    17  H   -0.159601
    18  O   -0.225635
    19  O   -0.250208
    20  H    0.182728
    21  C    0.902159
    22  C   -0.598089
    23  C    0.105888
    24  O   -0.290347
    25  C    0.897810
    26  H   -0.774653
    27  H   -0.920453
    28  H   -0.778002
    29  H   -0.111691
    30  H   -0.111999
    31  H   -0.376589
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.920188
     2  C    0.981910
     3  C    1.097335
     4  C   -0.337764
     5  C   -0.663555
     6  C    0.701669
     7  C   -1.174717
    11  C   -0.368212
    12  C    0.307894
    13  C    0.109681
    18  O   -0.225635
    19  O   -0.067480
    21  C   -0.018294
    22  C   -0.598089
    23  C   -0.672114
    24  O   -0.290347
    25  C    0.297530
 Electronic spatial extent (au):  <R**2>=           5465.9844
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.0991    Y=              1.5195    Z=              1.0240  Tot=              5.4184
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -107.4172   YY=            -94.9238   ZZ=           -103.4216
   XY=            -21.5190   XZ=             -3.9022   YZ=             -5.0034
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.4964   YY=              6.9971   ZZ=             -1.5007
   XY=            -21.5190   XZ=             -3.9022   YZ=             -5.0034
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            212.0688  YYY=              4.7129  ZZZ=             -4.4565  XYY=             22.2899
  XXY=             25.5879  XXZ=             24.4192  XZZ=             -2.0687  YZZ=             -0.8209
  YYZ=             -0.3515  XYZ=              6.3365
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5910.3337 YYYY=           -785.0129 ZZZZ=           -447.4139 XXXY=           -491.0598
 XXXZ=            -50.2699 YYYX=            -11.3464 YYYZ=            -22.8571 ZZZX=             -1.4417
 ZZZY=              2.1572 XXYY=          -1156.2120 XXZZ=          -1090.4411 YYZZ=           -223.3614
 XXYZ=            -38.5493 YYXZ=             -7.3901 ZZXY=             -7.1177
 N-N= 1.134464895729D+03 E-N=-4.055614660089D+03  KE= 7.624617040003D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 02:40:55 2021, MaxMem=  5368709120 cpu:               5.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.99435487D+00 5.71604927D-01 3.45983293D-01
 Polarizability= 2.74145954D+02-1.38066658D+01 1.62745326D+02
                -8.23186857D+00-1.03438991D+01 1.13471925D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.9876    3.9848       -8.4912   -8.4907
 2     -3.9876   -3.9848        5.5479    5.5511      -59.4703  -59.4598
 3      8.4912    8.4907       86.2956   86.2848       -5.5575   -5.5511
 4     -5.5479   -5.5511        0.0000    0.0000        8.4904    8.4907
 5    -26.8253  -26.8250       -8.4904   -8.4907        3.9939    3.9848
 6      5.5575    5.5511       -3.9939   -3.9848        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -11.9543  -11.9543      -25.4722  -25.4722
 2    -16.6532  -16.6532       -0.0000    0.0000      -25.4722  -25.4722
 3    -16.6532  -16.6532      -11.9543  -11.9543       -0.0000    0.0000
 4    -11.9543  -11.9543       16.6532   16.6532     -178.3795 -178.3795
 5     25.4722   25.4722      258.8544  258.8544      -16.6532  -16.6532
 6    -80.4749  -80.4749      -25.4722  -25.4722       11.9543   11.9543
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0130    0.0000      -15.5165  -15.9391       34.0164   33.9629
 2     15.2077   15.9391      -21.5463  -22.2043      237.6724  237.8394
 3    -34.1535  -33.9629     -345.4500 -345.1393       22.0487   22.2043
 4     21.3691   22.2043        0.3048    0.0000      -34.1667  -33.9629
 5    107.3392  107.2999       34.3325   33.9629      -15.9521  -15.9391
 6    -22.3498  -22.2043       16.5823   15.9391        0.0307    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2695    0.0000      127.4473  126.6241      -18.5141  -19.3472
 2   -126.3493 -126.6241      -83.0987  -81.5308       20.9909   20.2009
 3     18.8423   19.3472       49.3727   50.4504       78.7690   81.5308
 4     81.1608   81.5308        0.3674    0.0000       19.9844   19.3472
 5    -71.9667  -70.6513      -17.4069  -19.3472      126.9128  126.6241
 6    -81.5419  -81.5308     -127.3929 -126.6241       -1.8130    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.0214    3.2045      104.7984  105.9895       63.5476   63.7970
 2    149.6400  150.1133      224.4248  224.8471       64.1303   63.7970
 3    149.7806  150.1133      105.5009  105.9895       68.1747   67.6438
 4   -119.2450 -118.8575     -147.9119 -146.9088       33.2058   33.5177
 5      4.2164    3.8467       88.0823   88.9490      146.8011  146.9088
 6   -123.5838 -122.4667       -1.5413   -3.8467      118.5253  118.8575
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6085   -3.1447   -0.5678   -0.0009   -0.0004    0.0006
 Low frequencies ---   21.7276   33.7590   43.3801
 Diagonal vibrational polarizability:
      172.2891253      88.3924707     197.8956684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.7222                33.7555                43.3794
 Red. masses --      4.8062                 6.9125                 4.4643
 Frc consts  --      0.0013                 0.0046                 0.0049
 IR Inten    --      4.9040                 4.2923                 0.6151
 RamAct Fr= 1--      4.2507                 3.4991                 1.4841
  Dep-P Fr= 1--      0.7477                 0.7470                 0.7454
  Dep-U Fr= 1--      0.8556                 0.8552                 0.8541
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0001
 Beta2  Fr= 1--      0.6062                 0.4987                 0.2113
 AlphaG Fr= 1--      0.0001                 0.0052                -0.0007
 Gamma2 Fr= 1--      1.2794                -0.5024                 1.2805
 Delta2 Fr= 1--      1.3492                -0.7169                 0.2274
 Raman1 Fr= 1--      17.003                 13.996                  5.936
 ROA1   Fr= 1--     165.996                -71.176                130.203
 CID1   Fr= 1--       9.763                 -5.085                 21.934
 Raman2 Fr= 1--       7.274                  5.985                  2.535
 ROA2   Fr= 1--      19.912                 -6.323                 28.913
 CID2   Fr= 1--       2.737                 -1.056                 11.405
 Raman3 Fr= 1--      14.548                 11.970                  5.070
 ROA3   Fr= 1--     165.996                -71.176                130.203
 CID3   Fr= 1--      11.410                 -5.946                 25.679
 RC180  Fr= 1--       0.711                  0.710                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.09    -0.02   0.01   0.06     0.01  -0.04  -0.13
     2   6     0.01   0.03   0.05    -0.01  -0.01  -0.03     0.01  -0.03  -0.10
     3   6    -0.02   0.00  -0.14    -0.01   0.03   0.08     0.01  -0.05  -0.11
     4   6    -0.00   0.03  -0.07    -0.01   0.02   0.03     0.01  -0.04  -0.05
     5   6     0.02   0.06   0.07    -0.01  -0.00  -0.06     0.01  -0.03  -0.06
     6   6     0.02   0.05   0.12    -0.01  -0.02  -0.09     0.00  -0.03  -0.08
     7   6    -0.03  -0.03  -0.17    -0.02   0.02   0.12     0.02  -0.04  -0.12
     8   1    -0.04  -0.02  -0.24    -0.02   0.05   0.14     0.02  -0.05  -0.11
     9   1     0.03   0.08   0.13    -0.01  -0.01  -0.10     0.00  -0.03  -0.03
    10   1     0.04   0.08   0.23    -0.01  -0.04  -0.16    -0.00  -0.03  -0.08
    11   6    -0.01   0.04  -0.09    -0.01   0.01   0.03     0.02  -0.02   0.05
    12   6    -0.03   0.23  -0.07    -0.02  -0.04   0.02     0.14  -0.08   0.08
    13   6     0.03  -0.08   0.05     0.06   0.01  -0.01    -0.08   0.04   0.05
    14   1    -0.00  -0.01  -0.21    -0.02   0.01   0.04     0.01   0.02   0.14
    15   1    -0.03   0.28   0.04    -0.03  -0.06  -0.01     0.15  -0.12  -0.00
    16   1    -0.03   0.25  -0.07    -0.02  -0.05   0.01     0.15  -0.05   0.17
    17   1    -0.03   0.30  -0.18    -0.03  -0.06   0.05     0.22  -0.12   0.10
    18   8     0.14  -0.17   0.18     0.30  -0.28   0.07    -0.07   0.06   0.09
    19   8    -0.07  -0.08   0.00    -0.13   0.35  -0.16    -0.18   0.09  -0.01
    20   1    -0.13  -0.00  -0.11    -0.25   0.53  -0.23    -0.17   0.07  -0.05
    21   6    -0.03  -0.03  -0.12    -0.02   0.01   0.09     0.02  -0.01  -0.06
    22   6    -0.01  -0.01   0.03    -0.02  -0.02  -0.01     0.02   0.00  -0.01
    23   6     0.01   0.02   0.10    -0.01  -0.03  -0.07     0.01  -0.01  -0.04
    24   8     0.00  -0.00   0.09    -0.02  -0.04  -0.05     0.02   0.04   0.09
    25   6    -0.02  -0.03   0.02    -0.03  -0.04   0.01     0.04   0.09   0.28
    26   1    -0.05  -0.05  -0.28    -0.02   0.04   0.20     0.03  -0.05  -0.16
    27   1    -0.04  -0.06  -0.18    -0.03   0.01   0.14     0.03  -0.00  -0.05
    28   1     0.03   0.04   0.21    -0.01  -0.05  -0.14     0.01   0.00  -0.01
    29   1     0.00   0.04  -0.07    -0.05  -0.09   0.08     0.19   0.04   0.31
    30   1    -0.05  -0.13  -0.02    -0.01   0.04   0.04    -0.09   0.15   0.30
    31   1    -0.01  -0.03   0.09    -0.03  -0.06  -0.04     0.05   0.13   0.41
                      4                      5                      6
                      A                      A                      A
 Frequencies --     76.2641               113.4371               138.8649
 Red. masses --      3.9031                 4.6318                 4.1208
 Frc consts  --      0.0134                 0.0351                 0.0468
 IR Inten    --      3.9924                 0.1951                 0.1777
 RamAct Fr= 1--      1.2613                 1.1849                 1.5686
  Dep-P Fr= 1--      0.7202                 0.4489                 0.7061
  Dep-U Fr= 1--      0.8374                 0.6197                 0.8277
 Alpha2 Fr= 1--      0.0006                 0.0073                 0.0012
 Beta2  Fr= 1--      0.1760                 0.1224                 0.2164
 AlphaG Fr= 1--      0.0092                -0.0177                 0.0047
 Gamma2 Fr= 1--     -0.1224                -0.8064                 2.4894
 Delta2 Fr= 1--      0.2592                -0.5683                 1.4219
 Raman1 Fr= 1--       5.045                  4.740                  6.274
 ROA1   Fr= 1--      -3.450                -95.604                284.481
 CID1   Fr= 1--      -0.684                -20.171                 45.341
 Raman2 Fr= 1--       2.112                  1.469                  2.597
 ROA2   Fr= 1--      -5.010                -14.808                 48.369
 CID2   Fr= 1--      -2.372                -10.084                 18.628
 Raman3 Fr= 1--       4.225                  2.937                  5.193
 ROA3   Fr= 1--      -3.450                -95.604                284.481
 CID3   Fr= 1--      -0.817                -32.551                 54.780
 RC180  Fr= 1--       0.675                  0.239                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.04   0.07  -0.08    -0.00  -0.08  -0.02
     2   6    -0.01   0.01  -0.02    -0.02   0.06  -0.09    -0.02  -0.09  -0.09
     3   6    -0.01   0.03   0.05    -0.03   0.10  -0.03    -0.00  -0.05   0.10
     4   6    -0.01   0.04   0.08    -0.02   0.10  -0.00     0.00  -0.04   0.12
     5   6    -0.00   0.04   0.10    -0.02   0.08  -0.08    -0.01  -0.07  -0.01
     6   6    -0.01   0.03   0.05    -0.02   0.06  -0.12    -0.02  -0.10  -0.11
     7   6    -0.03  -0.01  -0.06    -0.09   0.03  -0.09     0.02  -0.08  -0.09
     8   1    -0.02   0.03   0.04    -0.03   0.11  -0.00    -0.01  -0.04   0.15
     9   1     0.00   0.05   0.14    -0.02   0.09  -0.09    -0.01  -0.08  -0.03
    10   1    -0.00   0.03   0.06    -0.02   0.05  -0.16    -0.02  -0.12  -0.19
    11   6    -0.01   0.02   0.03     0.00   0.01   0.07    -0.01   0.03   0.06
    12   6    -0.09   0.02   0.01     0.12  -0.16   0.09    -0.18   0.13   0.02
    13   6     0.07  -0.01   0.00     0.09  -0.02   0.04     0.03   0.04   0.03
    14   1    -0.02   0.00  -0.00    -0.11  -0.01   0.16     0.07   0.03  -0.02
    15   1    -0.08   0.04   0.04     0.26  -0.14  -0.02    -0.27   0.15   0.14
    16   1    -0.09  -0.02  -0.05     0.13  -0.31   0.15    -0.20   0.18  -0.11
    17   1    -0.15   0.04   0.02     0.05  -0.17   0.14    -0.23   0.16   0.01
    18   8     0.06  -0.03  -0.05     0.09  -0.04  -0.01     0.03   0.02  -0.04
    19   8     0.16  -0.02   0.05     0.18  -0.04   0.09     0.09   0.09   0.05
    20   1     0.15  -0.00   0.09     0.17  -0.01   0.13     0.09   0.10   0.10
    21   6    -0.03  -0.03  -0.12    -0.09   0.00  -0.04     0.02  -0.05  -0.09
    22   6    -0.03  -0.04  -0.13    -0.05   0.00   0.03     0.00  -0.01  -0.01
    23   6    -0.02  -0.02  -0.09    -0.01   0.02  -0.03    -0.03  -0.06  -0.07
    24   8    -0.03  -0.06  -0.19    -0.03  -0.03   0.19     0.01   0.10   0.19
    25   6    -0.01   0.04   0.26    -0.11  -0.14  -0.00     0.06   0.10  -0.05
    26   1    -0.04  -0.00  -0.05    -0.13   0.04  -0.12     0.05  -0.10  -0.12
    27   1    -0.04  -0.05  -0.16    -0.11  -0.01  -0.02     0.04  -0.04  -0.12
    28   1    -0.01  -0.03  -0.09     0.03   0.01  -0.01    -0.05  -0.04  -0.06
    29   1     0.18  -0.16   0.43    -0.17   0.01  -0.16     0.14   0.28  -0.28
    30   1    -0.20   0.30   0.35    -0.15  -0.33  -0.08     0.03  -0.18  -0.16
    31   1    -0.00   0.05   0.34    -0.08  -0.19   0.08     0.04   0.21   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    184.4744               202.9675               219.6740
 Red. masses --      3.3745                 3.9677                 1.0781
 Frc consts  --      0.0677                 0.0963                 0.0307
 IR Inten    --      0.9195                 1.8739                 0.3439
 RamAct Fr= 1--      0.0347                 1.6129                 0.1352
  Dep-P Fr= 1--      0.3733                 0.4938                 0.3678
  Dep-U Fr= 1--      0.5436                 0.6611                 0.5378
 Alpha2 Fr= 1--      0.0003                 0.0082                 0.0011
 Beta2  Fr= 1--      0.0031                 0.1777                 0.0121
 AlphaG Fr= 1--      0.0023                 0.0048                 0.0012
 Gamma2 Fr= 1--     -0.1355                -2.2291                 0.0307
 Delta2 Fr= 1--      0.0466                -1.1662                -0.0190
 Raman1 Fr= 1--       0.139                  6.451                  0.541
 ROA1   Fr= 1--     -11.517               -251.311                  2.336
 CID1   Fr= 1--     -82.869                -38.954                  4.320
 Raman2 Fr= 1--       0.038                  2.133                  0.145
 ROA2   Fr= 1--      -3.625                -44.168                  0.888
 CID2   Fr= 1--     -95.961                -20.712                  6.109
 Raman3 Fr= 1--       0.076                  4.265                  0.291
 ROA3   Fr= 1--     -11.517               -251.311                  2.336
 CID3   Fr= 1--    -152.439                -58.923                  8.033
 RC180  Fr= 1--       0.087                  0.322                  0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.14    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     2   6    -0.02  -0.05  -0.14    -0.06  -0.08   0.07    -0.01  -0.00   0.00
     3   6    -0.02  -0.05  -0.18    -0.07  -0.03  -0.06    -0.01   0.00  -0.00
     4   6    -0.00  -0.00   0.01    -0.01   0.02  -0.08     0.00   0.01  -0.00
     5   6     0.01   0.05   0.20     0.00   0.00  -0.09     0.00   0.01  -0.00
     6   6     0.00   0.01   0.06     0.01  -0.05  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.05    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     8   1    -0.03  -0.07  -0.28    -0.14  -0.01  -0.07    -0.01   0.00  -0.01
     9   1     0.03   0.10   0.42     0.02   0.00  -0.14     0.00   0.01  -0.00
    10   1     0.01   0.03   0.16     0.07  -0.07   0.01     0.01  -0.00  -0.00
    11   6    -0.00   0.01   0.01     0.02   0.06  -0.01     0.00   0.02  -0.01
    12   6    -0.01   0.02   0.01     0.19   0.06   0.04    -0.01  -0.03  -0.02
    13   6     0.02   0.01   0.01     0.06   0.04   0.00     0.01   0.02  -0.00
    14   1     0.00   0.01   0.00    -0.02   0.05   0.02     0.02   0.03   0.01
    15   1    -0.00   0.03   0.02     0.35   0.13   0.02    -0.47  -0.34  -0.21
    16   1    -0.01   0.01  -0.00     0.21  -0.06   0.17    -0.04   0.52   0.03
    17   1    -0.03   0.03   0.00     0.17   0.12  -0.04     0.47  -0.31   0.12
    18   8     0.01   0.00  -0.01     0.07   0.02  -0.02     0.03   0.01   0.03
    19   8     0.04   0.01   0.01     0.12   0.04   0.03     0.02  -0.02   0.01
    20   1     0.04   0.01   0.03     0.11   0.05   0.06     0.01  -0.01  -0.01
    21   6     0.01   0.04   0.20    -0.05  -0.08   0.04    -0.01  -0.01   0.00
    22   6    -0.01  -0.01   0.01    -0.08  -0.07   0.06    -0.01  -0.01   0.00
    23   6    -0.02  -0.05  -0.18    -0.08  -0.07   0.14    -0.01  -0.01   0.00
    24   8    -0.01   0.02   0.04    -0.11   0.04  -0.07    -0.01   0.00   0.00
    25   6     0.00   0.02  -0.02     0.05   0.19  -0.05     0.00   0.02  -0.00
    26   1     0.01   0.02   0.14    -0.07  -0.10  -0.01    -0.01  -0.00   0.00
    27   1     0.03   0.10   0.44    -0.04  -0.08   0.02    -0.01  -0.01   0.00
    28   1    -0.03  -0.07  -0.26    -0.08  -0.06   0.17    -0.01  -0.01  -0.00
    29   1    -0.17  -0.06   0.11     0.06   0.06   0.09     0.01   0.02  -0.01
    30   1     0.21   0.14   0.04     0.24   0.34   0.02     0.00   0.01  -0.01
    31   1    -0.02  -0.03  -0.28    -0.03   0.30  -0.25    -0.00   0.03  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5275               252.8526               278.9220
 Red. masses --      1.5312                 2.6408                 2.7921
 Frc consts  --      0.0488                 0.0995                 0.1280
 IR Inten    --      0.3953                 4.3300                 1.5316
 RamAct Fr= 1--      1.3695                 2.8207                 2.7866
  Dep-P Fr= 1--      0.7500                 0.1219                 0.3523
  Dep-U Fr= 1--      0.8571                 0.2173                 0.5210
 Alpha2 Fr= 1--      0.0000                 0.0468                 0.0243
 Beta2  Fr= 1--      0.1956                 0.1021                 0.2420
 AlphaG Fr= 1--     -0.0000                -0.0220                 0.0548
 Gamma2 Fr= 1--      1.0415                -0.6939                 1.1470
 Delta2 Fr= 1--      0.1889                 0.0085                 0.3172
 Raman1 Fr= 1--       5.478                 11.283                 11.146
 ROA1   Fr= 1--     106.029                -66.345                120.264
 CID1   Fr= 1--      19.356                 -5.880                 10.789
 Raman2 Fr= 1--       2.348                  1.226                  2.904
 ROA2   Fr= 1--      23.485                -16.722                 24.991
 CID2   Fr= 1--      10.004                -13.641                  8.606
 Raman3 Fr= 1--       4.695                  2.452                  5.808
 ROA3   Fr= 1--     106.029                -66.345                120.264
 CID3   Fr= 1--      22.582                -27.062                 20.708
 RC180  Fr= 1--       0.714                 -0.565                  0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05    -0.01   0.02   0.00     0.00   0.01   0.10
     2   6    -0.01  -0.01  -0.01     0.03  -0.00  -0.01    -0.02  -0.01  -0.01
     3   6    -0.01   0.03   0.02    -0.02   0.09   0.03     0.02   0.02   0.16
     4   6     0.00   0.03  -0.01    -0.01   0.10   0.02     0.03  -0.01   0.02
     5   6     0.02   0.04   0.05     0.04   0.08  -0.01     0.00   0.00   0.06
     6   6     0.02   0.02   0.05     0.05   0.03  -0.02    -0.00   0.01   0.06
     7   6    -0.02  -0.00   0.07    -0.04  -0.01  -0.03    -0.00  -0.01  -0.01
     8   1    -0.04   0.04   0.02    -0.05   0.11   0.05     0.01   0.04   0.23
     9   1     0.03   0.06   0.08     0.08   0.11  -0.03    -0.01  -0.00   0.07
    10   1     0.04   0.01   0.07     0.09   0.01  -0.04     0.01   0.01   0.08
    11   6     0.01   0.01  -0.04    -0.03   0.05  -0.02     0.04  -0.02  -0.05
    12   6     0.06  -0.02  -0.03    -0.12  -0.14  -0.06     0.14   0.05  -0.02
    13   6    -0.00  -0.00  -0.02    -0.02   0.02  -0.00     0.01  -0.02  -0.04
    14   1    -0.02   0.01  -0.02    -0.06   0.05   0.03     0.04  -0.03  -0.07
    15   1     0.13   0.00  -0.05    -0.03  -0.13  -0.12     0.17   0.06  -0.02
    16   1     0.07  -0.09   0.02    -0.12  -0.33  -0.18     0.15   0.09   0.10
    17   1     0.03  -0.01  -0.03    -0.31  -0.16   0.08     0.24   0.06  -0.10
    18   8     0.00   0.01   0.01     0.01   0.01   0.08    -0.00   0.01  -0.02
    19   8    -0.03  -0.04  -0.03    -0.06  -0.07  -0.00    -0.04  -0.04  -0.07
    20   1    -0.03  -0.04  -0.06    -0.08  -0.04  -0.08    -0.03  -0.06  -0.11
    21   6    -0.02  -0.03   0.01    -0.02  -0.07  -0.02    -0.01  -0.02  -0.11
    22   6    -0.02  -0.04  -0.04     0.02  -0.07   0.02    -0.03  -0.00  -0.07
    23   6    -0.01  -0.05  -0.08     0.04  -0.06  -0.00    -0.04  -0.03  -0.14
    24   8    -0.02   0.01   0.02     0.01  -0.02   0.04    -0.03   0.05   0.13
    25   6     0.03   0.05  -0.02     0.15   0.09  -0.03    -0.06   0.00   0.02
    26   1    -0.03   0.01   0.11    -0.08  -0.00  -0.04     0.00  -0.02  -0.00
    27   1    -0.02  -0.03   0.00    -0.04  -0.09  -0.01    -0.01  -0.02  -0.15
    28   1    -0.01  -0.06  -0.12     0.07  -0.08   0.01    -0.05  -0.03  -0.17
    29   1     0.38   0.28  -0.36     0.03  -0.05   0.15    -0.39  -0.12   0.25
    30   1    -0.28  -0.31  -0.18     0.45   0.25   0.06     0.25   0.22   0.12
    31   1     0.04   0.23   0.49     0.07   0.14  -0.36    -0.08  -0.14  -0.42
                     13                     14                     15
                      A                      A                      A
 Frequencies --    309.4119               379.9418               405.6269
 Red. masses --      4.0225                 5.2758                 4.7443
 Frc consts  --      0.2269                 0.4487                 0.4599
 IR Inten    --      7.8900                 1.8029                 2.6533
 RamAct Fr= 1--     10.0768                 3.0373                 0.6172
  Dep-P Fr= 1--      0.1399                 0.5419                 0.5547
  Dep-U Fr= 1--      0.2455                 0.7029                 0.7136
 Alpha2 Fr= 1--      0.1598                 0.0121                 0.0023
 Beta2  Fr= 1--      0.4123                 0.3558                 0.0734
 AlphaG Fr= 1--      0.0329                -0.0721                 0.0239
 Gamma2 Fr= 1--      0.3716                -3.2600                -0.6486
 Delta2 Fr= 1--      0.3482                -0.1465                -0.4445
 Raman1 Fr= 1--      40.307                 12.149                  2.469
 ROA1   Fr= 1--      46.818               -317.645                -76.494
 CID1   Fr= 1--       1.162                -26.146                -30.984
 Raman2 Fr= 1--       4.947                  4.270                  0.881
 ROA2   Fr= 1--       6.134                -77.067                -12.011
 CID2   Fr= 1--       1.240                -18.050                -13.636
 Raman3 Fr= 1--       9.894                  8.539                  1.762
 ROA3   Fr= 1--      46.818               -317.645                -76.494
 CID3   Fr= 1--       4.732                -37.197                -43.421
 RC180  Fr= 1--      -0.509                  0.406                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.09  -0.00    -0.07  -0.07   0.10    -0.04  -0.12  -0.03
     2   6     0.03   0.07  -0.01    -0.02  -0.09   0.10     0.01  -0.15  -0.05
     3   6    -0.01   0.07  -0.00    -0.13  -0.02  -0.06    -0.08   0.10   0.10
     4   6    -0.07   0.02  -0.02    -0.12   0.01  -0.16    -0.03   0.18   0.11
     5   6    -0.05   0.03  -0.00    -0.02  -0.02  -0.10     0.09   0.14   0.08
     6   6    -0.03   0.05   0.01     0.01  -0.07   0.15     0.11  -0.10  -0.10
     7   6    -0.04   0.05  -0.00     0.07   0.01   0.07     0.05  -0.08  -0.08
     8   1     0.03   0.06   0.01    -0.19  -0.00  -0.07    -0.21   0.16   0.13
     9   1    -0.03   0.04  -0.01     0.05   0.03  -0.16     0.22   0.24   0.11
    10   1    -0.07   0.07   0.02     0.06  -0.07   0.26     0.24  -0.17  -0.18
    11   6    -0.09  -0.08   0.05    -0.16   0.15  -0.06    -0.08   0.06   0.01
    12   6     0.06   0.12   0.12     0.00  -0.05  -0.05     0.04   0.03   0.06
    13   6    -0.09  -0.10   0.01    -0.11   0.09   0.02    -0.06  -0.04  -0.04
    14   1    -0.14  -0.12   0.01    -0.15   0.18   0.02    -0.15   0.03   0.03
    15   1    -0.06   0.07   0.16     0.13  -0.08  -0.25     0.08   0.00  -0.02
    16   1     0.06   0.37   0.30     0.02  -0.18   0.05     0.05   0.07   0.21
    17   1     0.33   0.11  -0.03    -0.02  -0.11   0.06     0.16  -0.00   0.03
    18   8    -0.12  -0.16  -0.17     0.00  -0.07   0.03    -0.05  -0.10  -0.10
    19   8     0.00   0.05   0.03     0.09   0.05   0.14    -0.07  -0.08  -0.04
    20   1     0.01   0.05   0.16    -0.00   0.21   0.20    -0.09  -0.05  -0.10
    21   6    -0.03  -0.04  -0.01     0.07   0.08  -0.09     0.07   0.06   0.05
    22   6     0.04  -0.07  -0.00     0.10   0.07  -0.13     0.07   0.08   0.09
    23   6     0.06  -0.03  -0.02    -0.01  -0.02  -0.11    -0.00  -0.01   0.09
    24   8     0.06  -0.09   0.04     0.15   0.05   0.05     0.06   0.09  -0.09
    25   6     0.21   0.02  -0.01     0.05  -0.08   0.03    -0.08  -0.02  -0.00
    26   1    -0.10   0.08  -0.00     0.22  -0.04   0.12     0.16  -0.14  -0.15
    27   1    -0.07  -0.08  -0.00     0.07   0.09  -0.10     0.08   0.07   0.05
    28   1     0.12  -0.06  -0.03    -0.16   0.04  -0.14    -0.12   0.04   0.09
    29   1     0.28  -0.01  -0.00    -0.09  -0.07   0.05    -0.14   0.00  -0.01
    30   1     0.34   0.01  -0.01     0.05  -0.05   0.04    -0.25  -0.01  -0.01
    31   1     0.14   0.16  -0.09     0.10  -0.20  -0.04    -0.00  -0.17   0.11
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.9166               417.0567               483.6631
 Red. masses --      5.0462                 3.2451                 3.9238
 Frc consts  --      0.5094                 0.3326                 0.5408
 IR Inten    --      5.1257                 0.3325                 3.9036
 RamAct Fr= 1--      0.7862                 2.5875                 2.0529
  Dep-P Fr= 1--      0.6228                 0.7500                 0.5105
  Dep-U Fr= 1--      0.7676                 0.8571                 0.6759
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0096
 Beta2  Fr= 1--      0.1006                 0.3696                 0.2313
 AlphaG Fr= 1--      0.0021                 0.0001                 0.0109
 Gamma2 Fr= 1--     -0.0399                 0.2775                -0.3524
 Delta2 Fr= 1--     -0.5169                -0.1590                 0.0011
 Raman1 Fr= 1--       3.145                 10.350                  8.211
 ROA1   Fr= 1--     -20.367                 21.551                -33.796
 CID1   Fr= 1--      -6.476                  2.082                 -4.116
 Raman2 Fr= 1--       1.207                  4.436                  2.775
 ROA2   Fr= 1--       3.178                  7.932                 -8.467
 CID2   Fr= 1--       2.633                  1.788                 -3.051
 Raman3 Fr= 1--       2.414                  8.871                  5.550
 ROA3   Fr= 1--     -20.367                 21.551                -33.796
 CID3   Fr= 1--      -8.437                  2.429                 -6.089
 RC180  Fr= 1--       0.535                  0.714                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.03    -0.00   0.01   0.08    -0.06  -0.07  -0.03
     2   6    -0.09  -0.00  -0.05    -0.01  -0.02  -0.04    -0.06  -0.05   0.07
     3   6    -0.09  -0.06   0.11    -0.02  -0.03  -0.15    -0.07   0.03  -0.08
     4   6    -0.08  -0.05   0.12    -0.00   0.01   0.03    -0.01   0.08  -0.02
     5   6    -0.15  -0.07   0.12     0.01   0.04   0.15    -0.04   0.07  -0.14
     6   6    -0.17  -0.05  -0.06    -0.01  -0.05  -0.18    -0.01   0.01   0.10
     7   6    -0.03   0.05  -0.08     0.02   0.05   0.22     0.01  -0.01   0.06
     8   1    -0.05  -0.07   0.12    -0.04  -0.09  -0.38    -0.18   0.09  -0.03
     9   1    -0.19  -0.10   0.18     0.02   0.08   0.29    -0.01   0.07  -0.26
    10   1    -0.25  -0.03  -0.13    -0.01  -0.09  -0.35     0.09  -0.02   0.17
    11   6    -0.04   0.07  -0.05    -0.00   0.00   0.00     0.06  -0.10   0.13
    12   6     0.10   0.02  -0.04     0.00   0.01   0.01    -0.08   0.02   0.18
    13   6     0.05   0.09  -0.08     0.00  -0.00  -0.01     0.15  -0.05  -0.01
    14   1     0.03   0.11  -0.02    -0.01   0.00   0.00    -0.08  -0.17   0.14
    15   1     0.24   0.04  -0.12     0.02   0.01   0.01    -0.21   0.05   0.39
    16   1     0.12  -0.05   0.15     0.01   0.01   0.03    -0.09   0.14   0.05
    17   1     0.15   0.03  -0.08     0.01   0.01   0.00    -0.09   0.09   0.09
    18   8     0.11   0.10   0.07     0.00   0.00  -0.01     0.06   0.10  -0.01
    19   8     0.02  -0.08  -0.09    -0.00  -0.02  -0.01    -0.06  -0.05  -0.15
    20   1    -0.02  -0.04  -0.24    -0.02   0.01  -0.04     0.16  -0.39  -0.17
    21   6    -0.02   0.11   0.02    -0.01  -0.04  -0.18     0.00   0.05  -0.03
    22   6     0.05   0.07   0.06     0.00  -0.02  -0.08     0.02   0.02  -0.10
    23   6    -0.03   0.06   0.05     0.01   0.03   0.11    -0.05  -0.01  -0.02
    24   8     0.12  -0.12  -0.03     0.01   0.01   0.04     0.06   0.00   0.03
    25   6     0.22  -0.09   0.00     0.00  -0.00   0.01     0.05  -0.04   0.01
    26   1     0.03   0.01  -0.13     0.04   0.10   0.43     0.09  -0.01   0.19
    27   1    -0.03   0.10   0.02    -0.02  -0.07  -0.31     0.02   0.08   0.06
    28   1    -0.11   0.09   0.05     0.01   0.08   0.32    -0.14   0.05   0.05
    29   1     0.32  -0.09  -0.02    -0.06  -0.02   0.04     0.02  -0.03   0.01
    30   1     0.24  -0.10  -0.00     0.06   0.03   0.02     0.06  -0.04   0.01
    31   1     0.17   0.03   0.02     0.00  -0.03  -0.08     0.06  -0.05  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.0774               518.1040               534.9537
 Red. masses --      2.5924                 2.8962                 5.9310
 Frc consts  --      0.3579                 0.4581                 1.0000
 IR Inten    --     15.9038                35.9439                 4.1766
 RamAct Fr= 1--      0.1087                 1.9476                15.4817
  Dep-P Fr= 1--      0.6107                 0.6047                 0.3521
  Dep-U Fr= 1--      0.7583                 0.7537                 0.5208
 Alpha2 Fr= 1--      0.0003                 0.0052                 0.1350
 Beta2  Fr= 1--      0.0137                 0.2446                 1.3438
 AlphaG Fr= 1--      0.0019                -0.0683                -0.0757
 Gamma2 Fr= 1--     -0.2426                 0.8494                 0.0570
 Delta2 Fr= 1--      0.0878                 0.4776                -0.0794
 Raman1 Fr= 1--       0.435                  7.790                 61.927
 ROA1   Fr= 1--     -20.480                 96.823                  2.930
 CID1   Fr= 1--     -47.095                 12.429                  0.047
 Raman2 Fr= 1--       0.165                  2.936                 16.125
 ROA2   Fr= 1--      -6.524                 16.565                  2.003
 CID2   Fr= 1--     -39.570                  5.643                  0.124
 Raman3 Fr= 1--       0.330                  5.871                 32.251
 ROA3   Fr= 1--     -20.480                 96.823                  2.930
 CID3   Fr= 1--     -62.107                 16.491                  0.091
 RC180  Fr= 1--       0.517                  0.507                  0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.20    -0.01  -0.04   0.04     0.12  -0.00  -0.01
     2   6     0.01   0.04   0.19    -0.07  -0.04  -0.02    -0.09   0.07  -0.01
     3   6    -0.02  -0.02  -0.12    -0.01   0.04   0.02     0.07   0.10  -0.02
     4   6     0.00   0.02   0.03     0.02   0.05  -0.04    -0.06   0.05  -0.01
     5   6     0.00   0.02   0.04    -0.05   0.11   0.04    -0.25   0.12  -0.01
     6   6    -0.00  -0.02  -0.09    -0.04   0.00  -0.04    -0.23   0.10  -0.01
     7   6    -0.01  -0.02  -0.10     0.03  -0.04  -0.01     0.21  -0.05  -0.00
     8   1    -0.05  -0.10  -0.45    -0.10   0.08   0.05     0.04   0.10  -0.03
     9   1     0.00  -0.00  -0.07    -0.04   0.12   0.10    -0.31   0.07   0.01
    10   1    -0.01  -0.10  -0.40     0.03  -0.03  -0.05    -0.26   0.11  -0.00
    11   6     0.01  -0.01   0.02     0.06  -0.12  -0.07    -0.06   0.03  -0.00
    12   6    -0.01   0.00   0.03     0.03  -0.02  -0.14    -0.00   0.01   0.02
    13   6     0.02  -0.00  -0.00     0.05  -0.13   0.08    -0.01   0.05  -0.04
    14   1    -0.01  -0.02   0.02    -0.05  -0.24  -0.21    -0.06   0.05   0.04
    15   1    -0.01   0.01   0.05    -0.04  -0.03  -0.08     0.05   0.02  -0.01
    16   1    -0.01   0.02   0.02     0.02   0.01  -0.21     0.01   0.00   0.10
    17   1    -0.01   0.01   0.01     0.02  -0.02  -0.15     0.04   0.02  -0.01
    18   8     0.01   0.01  -0.01    -0.07   0.03   0.07     0.03   0.02   0.02
    19   8    -0.01  -0.02  -0.02     0.00   0.16   0.03     0.02  -0.03  -0.02
    20   1    -0.03   0.02  -0.06     0.40  -0.40   0.50    -0.09   0.12  -0.13
    21   6     0.00   0.02   0.05     0.02   0.02  -0.00     0.26  -0.23   0.04
    22   6     0.01   0.02   0.07     0.01   0.04   0.04     0.07  -0.14   0.03
    23   6    -0.01  -0.03  -0.12    -0.06  -0.00   0.02    -0.04  -0.17   0.04
    24   8     0.01  -0.00  -0.01     0.02  -0.03  -0.01     0.04   0.08  -0.02
    25   6     0.00  -0.00   0.00     0.04  -0.03   0.00    -0.08  -0.00   0.01
    26   1    -0.02  -0.11  -0.44     0.07  -0.07  -0.07     0.13  -0.02  -0.01
    27   1    -0.01  -0.02  -0.11     0.05   0.03  -0.08     0.21  -0.26   0.05
    28   1    -0.04  -0.11  -0.47    -0.12   0.02  -0.02     0.12  -0.24   0.05
    29   1     0.01  -0.01   0.01     0.06  -0.04   0.00    -0.18   0.01   0.01
    30   1    -0.00   0.00   0.00     0.05  -0.03   0.00    -0.18   0.01   0.01
    31   1     0.01  -0.01   0.00     0.03  -0.01   0.00    -0.00  -0.16   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    562.1624               583.2299               600.4842
 Red. masses --      1.8005                 2.5737                 2.7697
 Frc consts  --      0.3353                 0.5158                 0.5884
 IR Inten    --     22.6008                39.0534                 2.6734
 RamAct Fr= 1--      5.5962                 4.5306                 3.1464
  Dep-P Fr= 1--      0.4352                 0.2034                 0.4881
  Dep-U Fr= 1--      0.6064                 0.3381                 0.6560
 Alpha2 Fr= 1--      0.0364                 0.0610                 0.0164
 Beta2  Fr= 1--      0.5656                 0.2553                 0.3440
 AlphaG Fr= 1--     -0.1849                 0.1869                 0.0509
 Gamma2 Fr= 1--      3.8063                -0.2957                -0.0372
 Delta2 Fr= 1--      2.1224                -1.2160                 0.3088
 Raman1 Fr= 1--      22.385                 18.123                 12.586
 ROA1   Fr= 1--     433.321                -67.293                  6.311
 CID1   Fr= 1--      19.358                 -3.713                  0.501
 Raman2 Fr= 1--       6.787                  3.063                  4.128
 ROA2   Fr= 1--      74.371                  2.632                 -3.364
 CID2   Fr= 1--      10.957                  0.859                 -0.815
 Raman3 Fr= 1--      13.575                  6.127                  8.256
 ROA3   Fr= 1--     433.321                -67.293                  6.311
 CID3   Fr= 1--      31.921                -10.984                  0.764
 RC180  Fr= 1--       0.213                 -0.324                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.01    -0.09   0.05   0.01     0.03   0.02   0.09
     2   6    -0.05  -0.02  -0.00     0.00  -0.02  -0.03     0.01  -0.04  -0.15
     3   6     0.04   0.02   0.00    -0.07  -0.01   0.02     0.01   0.02  -0.00
     4   6     0.06   0.03  -0.02    -0.03  -0.02  -0.04    -0.03  -0.04  -0.19
     5   6    -0.02   0.07  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.01
     6   6    -0.02   0.02  -0.00     0.02  -0.00  -0.00     0.00  -0.02   0.00
     7   6     0.05  -0.06   0.01    -0.09   0.08  -0.01     0.01  -0.01   0.06
     8   1    -0.04   0.04  -0.01    -0.06  -0.01   0.04     0.03   0.06   0.20
     9   1    -0.03   0.07   0.01     0.03   0.01   0.09     0.04   0.10   0.37
    10   1     0.06  -0.00   0.03     0.01   0.02   0.07     0.03   0.07   0.36
    11   6     0.07  -0.03   0.01     0.03  -0.13  -0.01    -0.02   0.00   0.04
    12   6     0.00  -0.00  -0.02     0.00  -0.01  -0.02    -0.04  -0.00   0.09
    13   6    -0.00  -0.02   0.02     0.06  -0.08   0.02    -0.00   0.04  -0.02
    14   1     0.05  -0.04   0.01    -0.06  -0.18  -0.06    -0.03   0.03   0.11
    15   1    -0.06  -0.00   0.04    -0.05   0.02   0.10    -0.08   0.01   0.15
    16   1    -0.01   0.02  -0.11    -0.00   0.06  -0.05    -0.05   0.02   0.04
    17   1    -0.04   0.01  -0.01     0.02   0.04  -0.11    -0.07   0.02   0.08
    18   8    -0.03   0.00  -0.03    -0.03   0.08   0.04     0.04   0.01   0.00
    19   8     0.02  -0.03   0.05     0.06   0.02   0.01     0.00  -0.02  -0.03
    20   1    -0.47   0.68  -0.31    -0.37   0.64  -0.25     0.07  -0.11  -0.02
    21   6     0.02   0.04  -0.01    -0.05  -0.02   0.00    -0.00  -0.01  -0.06
    22   6    -0.05   0.05  -0.01     0.09  -0.04   0.04    -0.00   0.07   0.23
    23   6    -0.06   0.06  -0.01     0.03  -0.10   0.02     0.01   0.02  -0.03
    24   8    -0.04  -0.08   0.02     0.11   0.12  -0.04    -0.03  -0.03  -0.04
    25   6     0.05  -0.03   0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.01
    26   1     0.09  -0.08   0.02    -0.12   0.08  -0.05     0.00  -0.08  -0.23
    27   1     0.11   0.11  -0.04    -0.19  -0.14  -0.03    -0.00  -0.10  -0.54
    28   1    -0.12   0.08  -0.00     0.03  -0.11  -0.00    -0.00  -0.04  -0.27
    29   1     0.13  -0.04  -0.00    -0.15   0.03   0.01     0.04  -0.02   0.01
    30   1     0.13  -0.04   0.00    -0.15   0.04  -0.00     0.01   0.02   0.00
    31   1    -0.01   0.10  -0.02     0.06  -0.18   0.04    -0.02   0.04  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    630.3657               690.0618               697.3935
 Red. masses --      5.1648                 3.8696                 4.9659
 Frc consts  --      1.2092                 1.0856                 1.4230
 IR Inten    --      0.7329                 9.4380                 2.4551
 RamAct Fr= 1--      0.7899                 2.6690                 1.4468
  Dep-P Fr= 1--      0.7374                 0.1560                 0.0974
  Dep-U Fr= 1--      0.8489                 0.2698                 0.1775
 Alpha2 Fr= 1--      0.0002                 0.0406                 0.0255
 Beta2  Fr= 1--      0.1118                 0.1200                 0.0428
 AlphaG Fr= 1--      0.0086                -0.2587                 0.0226
 Gamma2 Fr= 1--      0.7013                -0.4432                -1.2451
 Delta2 Fr= 1--      0.0602                 0.4518                -0.4654
 Raman1 Fr= 1--       3.160                 10.676                  5.787
 ROA1   Fr= 1--      69.255                -28.094               -134.427
 CID1   Fr= 1--      21.919                 -2.632                -23.228
 Raman2 Fr= 1--       1.341                  1.440                  0.513
 ROA2   Fr= 1--      16.350                -14.252                -26.160
 CID2   Fr= 1--      12.192                 -9.895                -50.945
 Raman3 Fr= 1--       2.682                  2.881                  1.027
 ROA3   Fr= 1--      69.255                -28.094               -134.427
 CID3   Fr= 1--      25.821                 -9.752               -130.893
 RC180  Fr= 1--       0.698                 -0.460                 -0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01   0.02     0.02  -0.03  -0.11    -0.05  -0.00  -0.07
     2   6    -0.17   0.03  -0.02     0.03  -0.02  -0.03    -0.05   0.02  -0.02
     3   6    -0.06  -0.18   0.03     0.03   0.04  -0.08    -0.09  -0.11  -0.00
     4   6     0.16  -0.05  -0.01     0.01   0.07   0.24    -0.01   0.01   0.16
     5   6     0.07   0.04  -0.03    -0.08  -0.03  -0.08     0.14  -0.01  -0.05
     6   6     0.02   0.23  -0.05    -0.05  -0.06   0.13     0.13   0.16   0.02
     7   6    -0.00   0.12  -0.01    -0.04  -0.02   0.14     0.15   0.16   0.03
     8   1    -0.11  -0.15   0.07     0.02  -0.00  -0.25    -0.09  -0.15  -0.13
     9   1    -0.11  -0.08   0.06    -0.07  -0.10  -0.45     0.10  -0.09  -0.31
    10   1     0.08   0.22   0.03    -0.08  -0.07   0.05     0.15   0.13  -0.07
    11   6     0.17   0.11   0.05     0.04   0.05  -0.00    -0.13  -0.05  -0.04
    12   6     0.02   0.01  -0.02     0.04   0.01  -0.09    -0.03  -0.01   0.03
    13   6    -0.02   0.07   0.06     0.06  -0.03   0.07    -0.06  -0.07  -0.10
    14   1     0.28   0.17   0.08     0.05   0.01  -0.11    -0.14  -0.06  -0.05
    15   1    -0.09  -0.06  -0.05     0.08  -0.02  -0.21     0.10   0.05   0.02
    16   1     0.00  -0.05  -0.30     0.05  -0.04  -0.06    -0.00   0.01   0.32
    17   1    -0.16  -0.07   0.20     0.05  -0.05  -0.01     0.13   0.04  -0.12
    18   8     0.02  -0.10  -0.15    -0.00  -0.01  -0.06    -0.06   0.02   0.14
    19   8    -0.11  -0.03   0.09    -0.06   0.00   0.05     0.11   0.03  -0.11
    20   1     0.06  -0.30   0.03    -0.06  -0.02  -0.06     0.03   0.19   0.14
    21   6     0.02  -0.00  -0.02    -0.06  -0.04  -0.10     0.14   0.01  -0.08
    22   6     0.04  -0.02   0.06     0.02   0.06   0.21    -0.02   0.01   0.12
    23   6    -0.15  -0.14   0.03     0.04   0.02  -0.07    -0.09  -0.07  -0.02
    24   8     0.08   0.04  -0.02     0.03   0.02  -0.04    -0.10  -0.10   0.01
    25   6     0.05  -0.04   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.00
    26   1    -0.00   0.11  -0.06    -0.07  -0.02   0.14     0.21   0.14   0.05
    27   1    -0.09  -0.11  -0.11    -0.08  -0.12  -0.44     0.13  -0.02  -0.24
    28   1    -0.20  -0.14  -0.04     0.04  -0.05  -0.34    -0.09  -0.11  -0.16
    29   1    -0.01  -0.03   0.01    -0.02  -0.00   0.01     0.09  -0.03  -0.00
    30   1    -0.02  -0.02   0.01    -0.05   0.03  -0.00     0.08  -0.01   0.00
    31   1     0.08  -0.12   0.02     0.02  -0.05   0.00    -0.09   0.15  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    737.6486               777.4397               783.6471
 Red. masses --      5.6038                 3.3565                 3.1645
 Frc consts  --      1.7965                 1.1953                 1.1450
 IR Inten    --      6.3277                 1.8537                 1.4997
 RamAct Fr= 1--     14.9268                32.9125                28.7111
  Dep-P Fr= 1--      0.0451                 0.0760                 0.0855
  Dep-U Fr= 1--      0.0862                 0.1413                 0.1574
 Alpha2 Fr= 1--      0.2983                 0.6109                 0.5208
 Beta2  Fr= 1--      0.2146                 0.7748                 0.7534
 AlphaG Fr= 1--     -0.1307                 0.1942                -0.2418
 Gamma2 Fr= 1--     -1.8459                 1.6322                 0.2496
 Delta2 Fr= 1--      0.0493                -0.2245                 0.7855
 Raman1 Fr= 1--      59.707                131.650                114.844
 ROA1   Fr= 1--    -175.628                149.505                 49.097
 CID1   Fr= 1--      -2.941                  1.136                  0.428
 Raman2 Fr= 1--       2.575                  9.298                  9.041
 ROA2   Fr= 1--     -44.697                 40.969                 -0.294
 CID2   Fr= 1--     -17.359                  4.406                 -0.032
 Raman3 Fr= 1--       5.150                 18.596                 18.082
 ROA3   Fr= 1--    -175.628                149.505                 49.097
 CID3   Fr= 1--     -34.104                  8.039                  2.715
 RC180  Fr= 1--      -0.828                 -0.717                 -0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.03    -0.01   0.03  -0.17    -0.02  -0.09  -0.14
     2   6     0.04  -0.03  -0.01    -0.01  -0.04   0.18     0.03   0.11   0.16
     3   6    -0.10   0.02  -0.00     0.05   0.10   0.01    -0.06  -0.07   0.06
     4   6    -0.11   0.01  -0.04     0.01   0.00  -0.08    -0.03  -0.04  -0.11
     5   6     0.02  -0.09   0.01    -0.02   0.02   0.08     0.03   0.01   0.07
     6   6     0.01  -0.13   0.01    -0.03  -0.17   0.01     0.02   0.12  -0.09
     7   6     0.15   0.22  -0.08     0.02   0.17  -0.02    -0.01  -0.13   0.04
     8   1    -0.05   0.01   0.04     0.09   0.15   0.25    -0.07   0.01   0.35
     9   1     0.13   0.02   0.13     0.06   0.06  -0.05    -0.04  -0.04   0.11
    10   1    -0.04  -0.08   0.13     0.03  -0.26  -0.24    -0.06   0.12  -0.24
    11   6    -0.05   0.07  -0.00     0.09  -0.06   0.02    -0.07   0.03  -0.02
    12   6     0.00   0.01  -0.05     0.03  -0.01  -0.01    -0.03   0.00   0.02
    13   6     0.26  -0.09   0.20    -0.09   0.09  -0.06     0.09  -0.05   0.06
    14   1    -0.23  -0.13  -0.26     0.14   0.04   0.20    -0.16  -0.06  -0.13
    15   1     0.08  -0.06  -0.27    -0.12   0.03   0.21     0.05  -0.02  -0.10
    16   1     0.02  -0.08   0.01     0.00   0.08  -0.21    -0.01  -0.05   0.14
    17   1     0.03  -0.10   0.10    -0.06   0.08  -0.09     0.02  -0.05   0.07
    18   8     0.05   0.08  -0.15     0.02  -0.03   0.01     0.01   0.04  -0.03
    19   8    -0.13   0.01   0.10     0.01  -0.01   0.02    -0.02   0.01   0.01
    20   1    -0.13  -0.05  -0.31     0.02  -0.02   0.06    -0.04   0.02  -0.10
    21   6     0.15   0.03   0.01     0.01   0.03  -0.10    -0.00  -0.06  -0.09
    22   6    -0.00  -0.05  -0.03     0.02   0.00   0.08    -0.00   0.03   0.07
    23   6     0.02  -0.05   0.02    -0.05  -0.09   0.01     0.05   0.07  -0.03
    24   8    -0.13  -0.11   0.04    -0.04  -0.03   0.00     0.02   0.02  -0.01
    25   6    -0.06   0.04  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   1     0.19   0.19  -0.13     0.02   0.26   0.29     0.04  -0.05   0.42
    27   1     0.10   0.00   0.03    -0.07   0.02   0.16     0.09   0.07   0.22
    28   1     0.06  -0.06   0.08    -0.15  -0.15  -0.36     0.10  -0.07  -0.48
    29   1     0.06   0.01  -0.01     0.03  -0.00  -0.00    -0.01   0.00   0.00
    30   1     0.06   0.01  -0.00     0.02   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.15   0.21  -0.04    -0.04   0.06  -0.00     0.02  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.2940               825.7872               837.0407
 Red. masses --      1.4563                 1.8502                 2.5557
 Frc consts  --      0.5773                 0.7434                 1.0550
 IR Inten    --     27.7997                 3.1969                 7.3304
 RamAct Fr= 1--      0.6842                 1.6232                 3.7747
  Dep-P Fr= 1--      0.3423                 0.3192                 0.3698
  Dep-U Fr= 1--      0.5100                 0.4839                 0.5399
 Alpha2 Fr= 1--      0.0062                 0.0157                 0.0310
 Beta2  Fr= 1--      0.0582                 0.1309                 0.3397
 AlphaG Fr= 1--     -0.0082                -0.0077                -0.0499
 Gamma2 Fr= 1--      0.0642                 0.3358                -0.3386
 Delta2 Fr= 1--     -0.0451                 0.0665                 0.6534
 Raman1 Fr= 1--       2.737                  6.493                 15.099
 ROA1   Fr= 1--       4.716                 34.365                -11.597
 CID1   Fr= 1--       1.723                  5.293                 -0.768
 Raman2 Fr= 1--       0.698                  1.571                  4.076
 ROA2   Fr= 1--       1.901                  7.528                -13.354
 CID2   Fr= 1--       2.723                  4.792                 -3.276
 Raman3 Fr= 1--       1.396                  3.142                  8.152
 ROA3   Fr= 1--       4.716                 34.365                -11.597
 CID3   Fr= 1--       3.378                 10.937                 -1.423
 RC180  Fr= 1--       0.020                 -0.032                  0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.09     0.02  -0.00  -0.08     0.06   0.04   0.00
     2   6    -0.01  -0.01  -0.02    -0.01   0.01   0.10    -0.06  -0.04  -0.02
     3   6     0.02   0.01   0.00     0.05   0.01  -0.03     0.13   0.04  -0.01
     4   6     0.01   0.01   0.04     0.02   0.01   0.06     0.03  -0.03  -0.09
     5   6    -0.00  -0.02  -0.07    -0.00  -0.02  -0.06     0.03  -0.02   0.07
     6   6    -0.01  -0.02  -0.03    -0.01  -0.05  -0.09     0.00  -0.03   0.07
     7   6    -0.01  -0.01  -0.09    -0.01   0.03   0.06    -0.03   0.02  -0.02
     8   1     0.02  -0.07  -0.29     0.09   0.06   0.21     0.24   0.01   0.02
     9   1     0.02   0.07   0.28     0.03   0.11   0.48     0.01  -0.11  -0.30
    10   1     0.03   0.07   0.38     0.04   0.08   0.49     0.02  -0.16  -0.40
    11   6     0.00   0.02   0.00     0.00   0.07   0.01    -0.03   0.13  -0.02
    12   6    -0.00   0.01   0.00    -0.00   0.02   0.01    -0.04   0.04   0.08
    13   6    -0.00  -0.02  -0.00     0.00  -0.07   0.00     0.05  -0.12   0.04
    14   1     0.02   0.01  -0.03     0.04   0.04  -0.09    -0.02   0.05  -0.22
    15   1     0.02  -0.01  -0.05     0.05  -0.03  -0.16     0.08  -0.08  -0.27
    16   1     0.00  -0.02   0.02     0.01  -0.07   0.04    -0.02  -0.16   0.14
    17   1    -0.00  -0.02   0.05    -0.01  -0.07   0.15    -0.06  -0.15   0.37
    18   8    -0.01  -0.00   0.01    -0.04  -0.01   0.02    -0.06   0.01   0.02
    19   8     0.01   0.00  -0.02     0.03   0.01  -0.05     0.03   0.01  -0.07
    20   1     0.01   0.00   0.02    -0.00   0.06   0.03    -0.01   0.09  -0.01
    21   6    -0.01  -0.02  -0.09    -0.01   0.01   0.05    -0.04  -0.00  -0.01
    22   6     0.00   0.01   0.06    -0.01  -0.02  -0.08    -0.02   0.03   0.04
    23   6    -0.02  -0.00   0.03    -0.04  -0.01   0.05    -0.12  -0.05  -0.02
    24   8     0.00   0.00  -0.01     0.01   0.01   0.02     0.03   0.03  -0.02
    25   6     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
    26   1     0.01   0.13   0.46    -0.06  -0.04  -0.28    -0.11   0.07   0.06
    27   1     0.02   0.14   0.58    -0.05  -0.08  -0.30    -0.05  -0.00   0.06
    28   1    -0.05  -0.05  -0.20    -0.10  -0.08  -0.33    -0.21   0.06   0.27
    29   1     0.01  -0.00  -0.01    -0.00  -0.01   0.01     0.02  -0.03   0.00
    30   1    -0.00  -0.01  -0.00     0.01  -0.01   0.01     0.01  -0.03   0.00
    31   1     0.01  -0.00   0.03     0.02  -0.02  -0.01     0.06  -0.06   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    856.7248               896.5177               922.8416
 Red. masses --      3.2179                 1.6913                 1.4952
 Frc consts  --      1.3916                 0.8009                 0.7503
 IR Inten    --      3.4848                34.0012                 7.9393
 RamAct Fr= 1--     19.5070                 2.2975                 0.9793
  Dep-P Fr= 1--      0.0900                 0.7044                 0.4861
  Dep-U Fr= 1--      0.1652                 0.8266                 0.6542
 Alpha2 Fr= 1--      0.3500                 0.0018                 0.0052
 Beta2  Fr= 1--      0.5370                 0.3165                 0.1068
 AlphaG Fr= 1--      0.3359                 0.0147                 0.0656
 Gamma2 Fr= 1--     -0.6995                -0.1286                -0.1428
 Delta2 Fr= 1--     -0.6047                -0.1463                -0.2663
 Raman1 Fr= 1--      78.028                  9.190                  3.917
 ROA1   Fr= 1--     -86.503                -17.028                -22.229
 CID1   Fr= 1--      -1.109                 -1.853                 -5.675
 Raman2 Fr= 1--       6.444                  3.798                  1.281
 ROA2   Fr= 1--     -11.951                 -1.915                 -1.296
 CID2   Fr= 1--      -1.855                 -0.504                 -1.012
 Raman3 Fr= 1--      12.888                  7.596                  2.562
 ROA3   Fr= 1--     -86.503                -17.028                -22.229
 CID3   Fr= 1--      -6.712                 -2.241                 -8.675
 RC180  Fr= 1--      -0.670                  0.653                  0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.03     0.01   0.02   0.07
     2   6     0.07   0.01  -0.02     0.01   0.03   0.11    -0.01  -0.00  -0.03
     3   6    -0.13  -0.06   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.16
     4   6     0.01   0.03  -0.03    -0.00   0.00   0.02    -0.01   0.01   0.06
     5   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.02   0.00
     6   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.05     0.01   0.01   0.02
     7   6     0.02   0.02  -0.01     0.00   0.00   0.02     0.00  -0.00   0.01
     8   1    -0.27   0.01   0.08     0.00   0.01   0.04     0.04   0.22   0.83
     9   1    -0.11  -0.01  -0.05     0.02   0.09   0.36     0.02  -0.02  -0.01
    10   1    -0.16  -0.03  -0.12     0.01   0.03   0.13    -0.02  -0.02  -0.10
    11   6     0.16   0.14   0.06    -0.00  -0.01   0.01    -0.01  -0.00   0.02
    12   6     0.06   0.05   0.03     0.00  -0.00  -0.01     0.01  -0.00  -0.03
    13   6    -0.04  -0.11  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    14   1     0.17   0.13   0.06     0.00  -0.00   0.00    -0.00   0.01   0.05
    15   1    -0.14  -0.10  -0.07     0.01   0.01  -0.00     0.00   0.01   0.00
    16   1     0.03  -0.06  -0.43     0.00   0.01   0.01     0.01   0.02  -0.01
    17   1    -0.24  -0.10   0.43     0.02   0.01  -0.03     0.03   0.02  -0.07
    18   8    -0.10  -0.05   0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.07   0.00  -0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01   0.12   0.10     0.00  -0.01   0.00    -0.02   0.03  -0.01
    21   6     0.03   0.00  -0.01    -0.00  -0.01  -0.03     0.00  -0.03  -0.05
    22   6     0.04  -0.02   0.02     0.01   0.02   0.09    -0.01   0.01   0.01
    23   6     0.15   0.04  -0.04    -0.01  -0.04  -0.18    -0.01   0.01   0.01
    24   8    -0.03  -0.05   0.01    -0.00  -0.00  -0.02     0.00   0.01  -0.01
    25   6    -0.06   0.05  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.00
    26   1     0.12  -0.01   0.03    -0.00  -0.00  -0.02    -0.03  -0.05  -0.21
    27   1     0.01   0.00   0.05     0.00   0.01   0.04     0.04   0.08   0.38
    28   1     0.30   0.01   0.08     0.05   0.21   0.86    -0.02   0.01  -0.00
    29   1    -0.02   0.04  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.02   0.04  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    31   1    -0.08   0.09  -0.01     0.00   0.00   0.00     0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.7644               953.9645               967.4276
 Red. masses --      3.5890                 1.3449                 1.3279
 Frc consts  --      1.8556                 0.7211                 0.7323
 IR Inten    --     13.7091                 1.6100                 1.4722
 RamAct Fr= 1--      6.0823                 1.5525                 1.2300
  Dep-P Fr= 1--      0.3793                 0.6394                 0.7492
  Dep-U Fr= 1--      0.5500                 0.7800                 0.8566
 Alpha2 Fr= 1--      0.0484                 0.0031                 0.0000
 Beta2  Fr= 1--      0.5576                 0.2018                 0.1756
 AlphaG Fr= 1--      0.1224                 0.0033                -0.0060
 Gamma2 Fr= 1--      3.4553                -0.4241                 0.1607
 Delta2 Fr= 1--     -1.6718                 0.4078                -0.1013
 Raman1 Fr= 1--      24.329                  6.210                  4.920
 ROA1   Fr= 1--     278.215                -27.663                 12.187
 CID1   Fr= 1--      11.435                 -4.455                  2.477
 Raman2 Fr= 1--       6.691                  2.422                  2.107
 ROA2   Fr= 1--      96.303                -13.441                  4.668
 CID2   Fr= 1--      14.393                 -5.550                  2.215
 Raman3 Fr= 1--      13.382                  4.844                  4.215
 ROA3   Fr= 1--     278.215                -27.663                 12.187
 CID3   Fr= 1--      20.790                 -5.711                  2.892
 RC180  Fr= 1--       0.100                  0.560                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.02     0.00   0.01   0.04    -0.00  -0.00  -0.02
     2   6     0.04  -0.07   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     3   6     0.08  -0.13  -0.00    -0.00  -0.01  -0.06     0.00   0.01   0.03
     4   6     0.11  -0.03   0.01     0.00   0.00   0.02    -0.00   0.00   0.00
     5   6    -0.12   0.19  -0.04    -0.00  -0.00  -0.03    -0.01  -0.03  -0.11
     6   6    -0.04   0.02   0.00     0.00   0.01   0.02     0.01   0.03   0.11
     7   6    -0.03   0.04   0.00    -0.01  -0.03  -0.12     0.00   0.01   0.03
     8   1     0.12  -0.09   0.20     0.02   0.07   0.29    -0.01  -0.03  -0.13
     9   1    -0.21   0.13  -0.02     0.00   0.04   0.18     0.04   0.16   0.66
    10   1     0.16  -0.06  -0.02    -0.00  -0.03  -0.14    -0.04  -0.16  -0.65
    11   6    -0.05  -0.02  -0.07    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    12   6    -0.09   0.00   0.05    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    13   6     0.01   0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.07  -0.05  -0.27     0.00   0.00   0.01     0.00  -0.00  -0.00
    15   1     0.19   0.02  -0.18     0.01   0.01  -0.01     0.01   0.00  -0.00
    16   1    -0.04  -0.10   0.48     0.00   0.00   0.02     0.00   0.00   0.00
    17   1     0.14  -0.06   0.01     0.02   0.00  -0.03     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8    -0.01   0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    21   6    -0.11   0.19  -0.06     0.00   0.03   0.09    -0.00  -0.00  -0.01
    22   6     0.10  -0.04   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    23   6     0.11  -0.12   0.02     0.00  -0.01  -0.01     0.00   0.01   0.02
    24   8    -0.01  -0.07   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.08   0.08  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.15  -0.05  -0.10     0.05   0.16   0.70    -0.01  -0.04  -0.16
    27   1    -0.17   0.17   0.09    -0.04  -0.12  -0.53     0.01   0.02   0.08
    28   1     0.19  -0.16   0.03     0.01  -0.00   0.02    -0.01  -0.02  -0.10
    29   1    -0.04   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.04   0.06  -0.02    -0.00   0.01   0.00     0.00  -0.00   0.00
    31   1    -0.10   0.12  -0.02    -0.00   0.00  -0.02     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.8591              1029.0931              1069.4625
 Red. masses --      3.5405                 2.1354                 3.6636
 Frc consts  --      2.0028                 1.3324                 2.4688
 IR Inten    --      1.7837                 4.7051                54.9361
 RamAct Fr= 1--     17.7297                 4.1425                 3.3555
  Dep-P Fr= 1--      0.1335                 0.4776                 0.0788
  Dep-U Fr= 1--      0.2355                 0.6465                 0.1461
 Alpha2 Fr= 1--      0.2857                 0.0226                 0.0619
 Beta2  Fr= 1--      0.6960                 0.4463                 0.0817
 AlphaG Fr= 1--     -0.2082                 0.1119                 0.0181
 Gamma2 Fr= 1--     -1.0742                -0.4422                 0.0345
 Delta2 Fr= 1--      0.0596                -1.3012                -0.0711
 Raman1 Fr= 1--      70.919                 16.570                 13.422
 ROA1   Fr= 1--    -101.214                -84.091                  1.033
 CID1   Fr= 1--      -1.427                 -5.075                  0.077
 Raman2 Fr= 1--       8.352                  5.356                  0.980
 ROA2   Fr= 1--     -26.256                 -0.204                  1.396
 CID2   Fr= 1--      -3.144                 -0.038                  1.424
 Raman3 Fr= 1--      16.704                 10.712                  1.961
 ROA3   Fr= 1--    -101.214                -84.091                  1.033
 CID3   Fr= 1--      -6.059                 -7.850                  0.527
 RC180  Fr= 1--      -0.529                  0.293                 -0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.00     0.05   0.00  -0.01     0.01  -0.01   0.00
     2   6     0.00   0.02  -0.01     0.00  -0.02   0.00     0.07   0.04  -0.01
     3   6     0.04   0.17  -0.03     0.05  -0.10   0.03    -0.03  -0.04   0.01
     4   6    -0.08  -0.00   0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
     5   6     0.04  -0.17   0.04    -0.03   0.09  -0.01    -0.02   0.04  -0.01
     6   6     0.01   0.13  -0.03     0.01  -0.01   0.00    -0.01  -0.04   0.01
     7   6    -0.00  -0.12   0.03    -0.01   0.02  -0.00     0.04   0.02  -0.01
     8   1     0.05   0.15  -0.10     0.26  -0.21  -0.03    -0.06  -0.03   0.02
     9   1    -0.06  -0.25   0.05    -0.01   0.11  -0.05     0.06   0.10  -0.02
    10   1    -0.28   0.25  -0.04     0.20  -0.08   0.01    -0.03  -0.03   0.01
    11   6    -0.01   0.03   0.06    -0.12   0.09   0.13     0.01  -0.01  -0.01
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12     0.00   0.01   0.01
    13   6     0.01  -0.02   0.01     0.04  -0.05   0.06    -0.00   0.00  -0.01
    14   1    -0.07   0.05   0.18    -0.34   0.14   0.52    -0.00  -0.02  -0.03
    15   1    -0.09  -0.01   0.07    -0.10   0.05   0.21    -0.01  -0.01  -0.01
    16   1     0.03   0.06  -0.28     0.03   0.19  -0.29     0.00  -0.01  -0.02
    17   1    -0.08   0.04  -0.02    -0.02   0.14  -0.34    -0.02  -0.01   0.05
    18   8    -0.01  -0.00   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.06    -0.00  -0.00   0.00
    20   1     0.01  -0.01  -0.02     0.01  -0.01  -0.06    -0.01   0.01   0.01
    21   6    -0.06   0.22  -0.05    -0.03   0.01  -0.00    -0.02   0.11  -0.02
    22   6     0.07  -0.01  -0.00    -0.00   0.00   0.00    -0.16  -0.06   0.02
    23   6    -0.02  -0.22   0.05     0.00  -0.00   0.00     0.03  -0.08   0.02
    24   8    -0.00  -0.04   0.01     0.00   0.00  -0.00    -0.15   0.21  -0.04
    25   6    -0.05   0.04  -0.01     0.00   0.00  -0.00     0.18  -0.21   0.04
    26   1     0.33  -0.26   0.02    -0.06   0.04  -0.01     0.24  -0.06  -0.00
    27   1     0.08   0.33  -0.07    -0.06  -0.01   0.01     0.13   0.23  -0.06
    28   1     0.06  -0.25   0.05    -0.01   0.00  -0.00     0.63  -0.34   0.04
    29   1    -0.00   0.03  -0.01    -0.00   0.00   0.00     0.09  -0.15   0.02
    30   1    -0.00   0.03  -0.01    -0.00   0.00  -0.00     0.09  -0.14   0.04
    31   1    -0.07   0.08  -0.02     0.01  -0.01   0.00     0.15  -0.16   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1090.5916              1098.9766              1166.7862
 Red. masses --      2.1334                 1.9742                 1.5265
 Frc consts  --      1.4950                 1.4048                 1.2244
 IR Inten    --      2.8333                20.1617                18.3443
 RamAct Fr= 1--      2.2910                11.1458                 2.1774
  Dep-P Fr= 1--      0.6204                 0.1854                 0.7119
  Dep-U Fr= 1--      0.7658                 0.3128                 0.8317
 Alpha2 Fr= 1--      0.0054                 0.1573                 0.0014
 Beta2  Fr= 1--      0.2924                 0.5811                 0.3018
 AlphaG Fr= 1--     -0.0084                -0.2815                -0.0001
 Gamma2 Fr= 1--      0.0335                -1.8572                -0.0451
 Delta2 Fr= 1--     -0.0635                 2.3851                -0.6019
 Raman1 Fr= 1--       9.164                 44.583                  8.710
 ROA1   Fr= 1--       1.186               -101.973                -23.595
 CID1   Fr= 1--       0.129                 -2.287                 -2.709
 Raman2 Fr= 1--       3.509                  6.974                  3.622
 ROA2   Fr= 1--       1.313                -63.654                  3.732
 CID2   Fr= 1--       0.374                 -9.128                  1.030
 Raman3 Fr= 1--       7.017                 13.948                  7.244
 ROA3   Fr= 1--       1.186               -101.973                -23.595
 CID3   Fr= 1--       0.169                 -7.311                 -3.257
 RC180  Fr= 1--       0.532                 -0.374                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.01     0.02   0.07  -0.02
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01   0.05  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.05   0.00    -0.05  -0.04   0.02
     4   6     0.10   0.06  -0.01     0.05  -0.00  -0.06    -0.06  -0.03   0.00
     5   6     0.02  -0.06   0.01     0.01  -0.02   0.02     0.02   0.05  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.03  -0.04   0.01
     7   6     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.05  -0.06   0.02
     8   1    -0.17   0.08  -0.01    -0.22   0.11  -0.08     0.11  -0.11   0.02
     9   1    -0.04  -0.11   0.05    -0.02  -0.06  -0.03     0.39   0.33  -0.11
    10   1    -0.22   0.03   0.00    -0.10   0.03  -0.01    -0.16   0.01   0.01
    11   6     0.04   0.14  -0.15     0.05  -0.00   0.16     0.05   0.01  -0.00
    12   6    -0.05  -0.13   0.06    -0.11  -0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.05  -0.08  -0.01    -0.02   0.02   0.09     0.01  -0.02  -0.02
    14   1    -0.03   0.23   0.17     0.31   0.10   0.11     0.23   0.11   0.01
    15   1    -0.04   0.11   0.55     0.32   0.13  -0.27     0.05   0.03   0.02
    16   1    -0.06   0.24   0.26    -0.05  -0.03   0.52    -0.01   0.01   0.09
    17   1     0.08   0.17  -0.44     0.32  -0.02  -0.35     0.05   0.00  -0.06
    18   8    -0.02  -0.00  -0.00    -0.03  -0.03   0.00    -0.00   0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.07    -0.01   0.00   0.01
    20   1    -0.04   0.05   0.15     0.05  -0.04  -0.13    -0.02   0.03   0.08
    21   6    -0.01   0.00   0.00     0.01  -0.01   0.00     0.05   0.03  -0.01
    22   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.02  -0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.05   0.01
    24   8     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.04  -0.02   0.00
    25   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.03   0.02  -0.01
    26   1     0.04   0.00  -0.00     0.03   0.00  -0.00    -0.36   0.06   0.01
    27   1    -0.05  -0.03   0.01    -0.01  -0.02   0.01     0.50   0.36  -0.12
    28   1     0.07  -0.03   0.00     0.03   0.00  -0.00     0.01  -0.07   0.02
    29   1    -0.01   0.00   0.00     0.00  -0.01   0.00     0.02   0.00  -0.00
    30   1    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    31   1     0.00  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5185              1175.7493              1181.4183
 Red. masses --      1.2705                 2.0340                 1.7999
 Frc consts  --      1.0291                 1.6566                 1.4802
 IR Inten    --      0.8252                77.6461                 6.0445
 RamAct Fr= 1--      0.8524                25.6798                 9.0274
  Dep-P Fr= 1--      0.7474                 0.3354                 0.6058
  Dep-U Fr= 1--      0.8554                 0.5024                 0.7545
 Alpha2 Fr= 1--      0.0000                 0.2362                 0.0240
 Beta2  Fr= 1--      0.1215                 2.1501                 1.1352
 AlphaG Fr= 1--     -0.0061                 0.0499                -0.0056
 Gamma2 Fr= 1--     -0.0051                 3.8922                 0.9450
 Delta2 Fr= 1--     -0.0733                 4.3046                -1.7888
 Raman1 Fr= 1--       3.410                102.719                 36.110
 ROA1   Fr= 1--      -2.833                511.399                 33.475
 CID1   Fr= 1--      -0.831                  4.979                  0.927
 Raman2 Fr= 1--       1.458                 25.801                 13.623
 ROA2   Fr= 1--       0.464                 58.976                 36.990
 CID2   Fr= 1--       0.318                  2.286                  2.715
 Raman3 Fr= 1--       2.917                 51.602                 27.245
 ROA3   Fr= 1--      -2.833                511.399                 33.475
 CID3   Fr= 1--      -0.971                  9.910                  1.229
 RC180  Fr= 1--       0.711                  0.005                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02  -0.02   0.00    -0.02   0.04  -0.01
     2   6    -0.00  -0.00  -0.00    -0.03   0.06  -0.01     0.02  -0.04   0.01
     3   6     0.00   0.00   0.00     0.02  -0.05   0.00    -0.02   0.03  -0.01
     4   6     0.00   0.00  -0.00     0.09   0.06   0.00    -0.03  -0.03   0.03
     5   6    -0.00  -0.00   0.00     0.06  -0.02  -0.00    -0.05   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.05  -0.06   0.02     0.05   0.03  -0.01
     7   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.03   0.01
     8   1    -0.00   0.00  -0.00    -0.16   0.03   0.03     0.09  -0.00   0.02
     9   1    -0.01  -0.00   0.00     0.33   0.19  -0.05    -0.35  -0.21   0.08
    10   1     0.00  -0.00  -0.00    -0.38   0.07   0.01     0.39  -0.10   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.03  -0.05     0.02   0.02  -0.09
    12   6     0.00   0.00   0.00     0.03  -0.01   0.01     0.01  -0.05   0.04
    13   6    -0.00   0.00   0.00    -0.05   0.10   0.15    -0.03   0.06   0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.23  -0.18     0.10   0.02  -0.18
    15   1    -0.00  -0.00   0.00    -0.09  -0.04   0.06    -0.06   0.00   0.20
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.12    -0.01   0.07  -0.03
    17   1    -0.00   0.00   0.00    -0.08   0.01   0.04    -0.03   0.05  -0.08
    18   8    -0.00  -0.00   0.00    -0.03  -0.03   0.00    -0.04  -0.03   0.00
    19   8     0.00   0.00  -0.00     0.06   0.01  -0.06     0.05   0.01  -0.05
    20   1     0.00  -0.00  -0.00     0.12  -0.16  -0.46     0.11  -0.14  -0.42
    21   6    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.04  -0.01   0.00
    22   6     0.00   0.00   0.00    -0.04  -0.02   0.01     0.02   0.03  -0.01
    23   6     0.00  -0.00  -0.00    -0.03   0.00   0.00     0.03  -0.02   0.00
    24   8     0.00   0.01   0.06     0.04  -0.04   0.01    -0.01   0.03  -0.01
    25   6    -0.01  -0.03  -0.13     0.00   0.06  -0.01    -0.03  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.05  -0.00  -0.00    -0.26   0.06   0.00
    27   1    -0.00   0.00   0.01    -0.03   0.02  -0.00     0.27   0.15  -0.06
    28   1     0.00   0.00   0.01     0.15  -0.08   0.01    -0.05   0.01   0.00
    29   1     0.39  -0.48   0.27    -0.11   0.04   0.03     0.15  -0.04  -0.03
    30   1    -0.36   0.56   0.07    -0.11   0.03  -0.03     0.15  -0.03   0.03
    31   1     0.02   0.07   0.27     0.11  -0.16   0.03    -0.14   0.19  -0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3328              1200.5127              1205.1791
 Red. masses --      1.6680                 1.3746                 1.6281
 Frc consts  --      1.3901                 1.1673                 1.3932
 IR Inten    --     61.4327                23.5445                 0.5224
 RamAct Fr= 1--      8.7536                55.1456                 1.6326
  Dep-P Fr= 1--      0.3554                 0.2033                 0.7111
  Dep-U Fr= 1--      0.5244                 0.3380                 0.8311
 Alpha2 Fr= 1--      0.0755                 0.7423                 0.0011
 Beta2  Fr= 1--      0.7651                 3.1062                 0.2262
 AlphaG Fr= 1--     -0.0110                -0.0996                -0.0010
 Gamma2 Fr= 1--      0.2321                -7.4021                 0.9120
 Delta2 Fr= 1--      0.0721                 0.2694                -0.3097
 Raman1 Fr= 1--      35.014                220.582                  6.530
 ROA1   Fr= 1--      24.589               -701.982                 77.638
 CID1   Fr= 1--       0.702                 -3.182                 11.889
 Raman2 Fr= 1--       9.182                 37.275                  2.714
 ROA2   Fr= 1--       4.993               -179.806                 24.365
 CID2   Fr= 1--       0.544                 -4.824                  8.978
 Raman3 Fr= 1--      18.363                 74.550                  5.428
 ROA3   Fr= 1--      24.589               -701.982                 77.638
 CID3   Fr= 1--       1.339                 -9.416                 14.304
 RC180  Fr= 1--       0.049                 -0.324                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04  -0.01    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.12   0.05  -0.01     0.01   0.01  -0.00    -0.08   0.06  -0.01
     3   6     0.02   0.02  -0.01    -0.00   0.01  -0.00     0.03  -0.03   0.01
     4   6    -0.03   0.01  -0.01    -0.11  -0.04   0.02     0.03   0.05  -0.02
     5   6    -0.02  -0.03   0.01     0.00   0.04  -0.01     0.01  -0.02   0.00
     6   6     0.05  -0.04   0.01     0.01   0.02  -0.01    -0.00  -0.05   0.01
     7   6     0.04  -0.02   0.00     0.03  -0.02   0.00     0.01  -0.04   0.01
     8   1     0.20  -0.05   0.00     0.36  -0.13   0.03     0.14  -0.07   0.01
     9   1    -0.10  -0.09   0.03     0.30   0.27  -0.08     0.18   0.10  -0.04
    10   1     0.52  -0.23   0.02    -0.08   0.06  -0.01    -0.07  -0.03   0.01
    11   6     0.03   0.00   0.00     0.05   0.01  -0.05     0.00  -0.01   0.02
    12   6    -0.01  -0.00  -0.00    -0.01  -0.03   0.02    -0.01   0.01  -0.01
    13   6     0.00  -0.01  -0.01     0.00   0.01   0.05    -0.01   0.01  -0.02
    14   1     0.08   0.03  -0.00     0.35   0.14  -0.10    -0.15  -0.09   0.02
    15   1     0.03   0.01  -0.01     0.01   0.02   0.11     0.02   0.00  -0.06
    16   1    -0.01  -0.00   0.05    -0.01   0.04   0.02    -0.00  -0.02   0.03
    17   1     0.03  -0.00  -0.03     0.02   0.03  -0.08     0.02  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.02  -0.01  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.02     0.03  -0.04  -0.13    -0.01   0.01   0.06
    21   6    -0.02  -0.01   0.00    -0.03  -0.01   0.01    -0.02  -0.03   0.01
    22   6    -0.09   0.01   0.00     0.02  -0.00  -0.00     0.04   0.06  -0.02
    23   6     0.01   0.02  -0.00    -0.01   0.02  -0.00     0.02  -0.02   0.00
    24   8     0.07  -0.05   0.01    -0.03   0.00   0.00     0.04   0.04  -0.01
    25   6    -0.00   0.08  -0.02     0.02  -0.01  -0.00    -0.10  -0.08   0.02
    26   1     0.24  -0.10   0.01     0.46  -0.19   0.02     0.13  -0.09   0.01
    27   1     0.09   0.07  -0.02    -0.32  -0.22   0.08    -0.12  -0.12   0.04
    28   1     0.54  -0.21   0.02    -0.16   0.08  -0.01     0.22  -0.11   0.01
    29   1    -0.13   0.05   0.03    -0.04   0.00   0.01     0.37  -0.08  -0.08
    30   1    -0.13   0.03  -0.04    -0.04   0.00  -0.00     0.38  -0.04   0.06
    31   1     0.15  -0.24   0.05     0.02  -0.02   0.00    -0.37   0.52  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1255.1872              1297.6577              1298.0756
 Red. masses --      1.6515                 1.4057                 1.7895
 Frc consts  --      1.5331                 1.3946                 1.7766
 IR Inten    --     79.4132               158.5150                15.9219
 RamAct Fr= 1--     45.3517                11.5206                 2.5805
  Dep-P Fr= 1--      0.2506                 0.7233                 0.1687
  Dep-U Fr= 1--      0.4007                 0.8394                 0.2887
 Alpha2 Fr= 1--      0.5367                 0.0053                 0.0380
 Beta2  Fr= 1--      3.0288                 1.6118                 0.1242
 AlphaG Fr= 1--      0.1109                 0.0048                -0.0028
 Gamma2 Fr= 1--      2.7594                -3.0221                 4.1445
 Delta2 Fr= 1--      0.8750                -2.3626                -0.1607
 Raman1 Fr= 1--     181.407                 46.083                 10.322
 ROA1   Fr= 1--     292.899               -365.726                392.728
 CID1   Fr= 1--       1.615                 -7.936                 38.047
 Raman2 Fr= 1--      36.346                 19.342                  1.490
 ROA2   Fr= 1--      59.225                -53.630                100.752
 CID2   Fr= 1--       1.629                 -2.773                 67.611
 Raman3 Fr= 1--      72.692                 38.683                  2.980
 ROA3   Fr= 1--     292.899               -365.726                392.728
 CID3   Fr= 1--       4.029                 -9.454                131.772
 RC180  Fr= 1--      -0.199                  0.679                 -0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.09  -0.01     0.03  -0.03   0.01    -0.10  -0.11   0.03
     2   6     0.03   0.02  -0.01    -0.02  -0.01   0.00    -0.07  -0.14   0.04
     3   6     0.00  -0.04   0.01     0.00   0.01  -0.00     0.05   0.05  -0.02
     4   6     0.04   0.09  -0.02    -0.04  -0.01   0.00    -0.01   0.02  -0.00
     5   6    -0.02  -0.01   0.00     0.00  -0.01   0.00     0.03   0.00  -0.00
     6   6     0.02  -0.04   0.01    -0.00   0.02  -0.00    -0.01   0.06  -0.01
     7   6    -0.01  -0.05   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.01
     8   1     0.44  -0.21   0.03    -0.01   0.01   0.00     0.54  -0.14   0.01
     9   1    -0.18  -0.13   0.04     0.05   0.03  -0.02     0.06   0.03  -0.01
    10   1    -0.16   0.03   0.00     0.05  -0.01   0.00    -0.39   0.21  -0.03
    11   6     0.06   0.01   0.01     0.01   0.04   0.05    -0.00  -0.01  -0.01
    12   6    -0.03   0.01  -0.01     0.02  -0.05   0.00    -0.00   0.01   0.00
    13   6    -0.02   0.03  -0.00    -0.03   0.06   0.08     0.00  -0.01  -0.00
    14   1    -0.42  -0.24  -0.01    -0.03  -0.24  -0.57     0.03   0.04   0.08
    15   1     0.06   0.03  -0.05    -0.01   0.01   0.14     0.00  -0.01  -0.03
    16   1    -0.02  -0.01   0.09     0.00   0.11  -0.05    -0.00  -0.01  -0.00
    17   1     0.06  -0.02  -0.01    -0.01   0.05  -0.14     0.00   0.00   0.01
    18   8     0.01  -0.01  -0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
    19   8    -0.00  -0.01  -0.01    -0.01  -0.05  -0.07     0.00   0.01   0.01
    20   1    -0.02   0.04   0.14    -0.13   0.25   0.63     0.02  -0.03  -0.08
    21   6     0.02  -0.02   0.00     0.00   0.01  -0.00     0.05  -0.01  -0.00
    22   6     0.04   0.01  -0.01     0.02   0.01  -0.00     0.02   0.04  -0.01
    23   6     0.03  -0.03   0.01    -0.00   0.01  -0.00     0.05   0.04  -0.01
    24   8    -0.07  -0.00   0.01    -0.01  -0.00   0.00    -0.03  -0.00   0.00
    25   6     0.05   0.00  -0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    26   1     0.18  -0.14   0.02    -0.14   0.06  -0.00    -0.38   0.19  -0.02
    27   1     0.22   0.12  -0.04    -0.07  -0.05   0.02     0.07   0.01  -0.01
    28   1    -0.37   0.14  -0.01     0.12  -0.05   0.00     0.43  -0.12  -0.00
    29   1    -0.14   0.03   0.02    -0.02   0.01   0.00    -0.05   0.01   0.01
    30   1    -0.14   0.02  -0.02    -0.02   0.01  -0.00    -0.05   0.00  -0.00
    31   1     0.12  -0.15   0.03     0.00   0.01  -0.00     0.03  -0.04   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.9432              1325.6110              1336.5931
 Red. masses --      2.7635                 2.2360                 1.7766
 Frc consts  --      2.7811                 2.3150                 1.8700
 IR Inten    --    267.8263                 8.6375               143.1484
 RamAct Fr= 1--     28.8690                 8.7240                 5.2472
  Dep-P Fr= 1--      0.1679                 0.2583                 0.7493
  Dep-U Fr= 1--      0.2875                 0.4105                 0.8567
 Alpha2 Fr= 1--      0.4264                 0.1010                 0.0001
 Beta2  Fr= 1--      1.3831                 0.5969                 0.7492
 AlphaG Fr= 1--     -0.1245                 0.1122                 0.0069
 Gamma2 Fr= 1--     -1.1077                 0.4946                 3.4117
 Delta2 Fr= 1--     -0.4856                 0.6801                 2.0823
 Raman1 Fr= 1--     115.476                 34.896                 20.989
 ROA1   Fr= 1--    -121.874                 69.242                394.153
 CID1   Fr= 1--      -1.055                  1.984                 18.779
 Raman2 Fr= 1--      16.598                  7.163                  8.990
 ROA2   Fr= 1--     -22.699                  6.430                 65.221
 CID2   Fr= 1--      -1.368                  0.898                  7.255
 Raman3 Fr= 1--      33.195                 14.326                 17.980
 ROA3   Fr= 1--    -121.874                 69.242                394.153
 CID3   Fr= 1--      -3.671                  4.833                 21.922
 RC180  Fr= 1--      -0.425                 -0.179                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.14  -0.05   0.00     0.00  -0.00  -0.00
     2   6    -0.11   0.10  -0.02     0.02  -0.01   0.00     0.00  -0.00   0.00
     3   6     0.02  -0.02   0.00    -0.05  -0.03   0.01    -0.01   0.01  -0.01
     4   6     0.01   0.01  -0.00    -0.15   0.02   0.01    -0.00  -0.01   0.02
     5   6    -0.01  -0.04   0.01    -0.00  -0.02   0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.03   0.01     0.01   0.03  -0.01    -0.00   0.00  -0.00
     7   6    -0.00  -0.09   0.02     0.03   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.29   0.10  -0.01     0.07  -0.09   0.03    -0.02   0.02   0.02
     9   1     0.26   0.16  -0.05    -0.01  -0.02   0.01     0.02   0.02   0.02
    10   1     0.34  -0.17   0.02     0.12  -0.01  -0.00     0.04  -0.01   0.00
    11   6    -0.02  -0.01  -0.01     0.21   0.05  -0.03     0.01  -0.08  -0.14
    12   6     0.00   0.01  -0.00    -0.07   0.01   0.00    -0.03   0.06   0.03
    13   6     0.01  -0.01  -0.01    -0.02   0.01  -0.04     0.01   0.04   0.15
    14   1     0.08   0.08   0.10    -0.62  -0.28   0.18    -0.07   0.23   0.71
    15   1    -0.02  -0.01  -0.02     0.19   0.09  -0.09     0.01  -0.03  -0.20
    16   1     0.00  -0.03  -0.00    -0.05   0.00   0.12    -0.02  -0.16   0.00
    17   1    -0.01  -0.01   0.04     0.17  -0.07  -0.02     0.06  -0.04   0.11
    18   8    -0.01  -0.00   0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8     0.00   0.01   0.01     0.01   0.01   0.02    -0.01  -0.04  -0.08
    20   1     0.03  -0.05  -0.11     0.04  -0.06  -0.16    -0.09   0.18   0.49
    21   6     0.04   0.02  -0.01    -0.02   0.04  -0.01     0.00   0.00  -0.00
    22   6     0.23   0.11  -0.04    -0.02   0.01  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.04   0.01    -0.05  -0.00   0.00    -0.01   0.00  -0.00
    24   8    -0.17  -0.02   0.02     0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6     0.10  -0.02  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    26   1    -0.43   0.07   0.01    -0.27   0.14  -0.02     0.02  -0.01   0.00
    27   1    -0.23  -0.18   0.06    -0.28  -0.15   0.05    -0.00  -0.00   0.00
    28   1     0.13  -0.07   0.01     0.12  -0.08   0.01     0.02  -0.01   0.00
    29   1    -0.28   0.06   0.03     0.01  -0.00   0.00     0.00   0.00  -0.00
    30   1    -0.29   0.05  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    31   1     0.09  -0.04   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1386.4146              1403.8475              1410.3404
 Red. masses --      2.4101                 2.8030                 3.8580
 Frc consts  --      2.7294                 3.2548                 4.5213
 IR Inten    --     15.8258                 8.0542                 2.0159
 RamAct Fr= 1--     52.9196                34.4365               552.9500
  Dep-P Fr= 1--      0.1777                 0.1747                 0.2054
  Dep-U Fr= 1--      0.3018                 0.2974                 0.3408
 Alpha2 Fr= 1--      0.7620                 0.4997                 7.4020
 Beta2  Fr= 1--      2.6614                 1.7070                31.4088
 AlphaG Fr= 1--     -0.0500                -0.0782                -0.3319
 Gamma2 Fr= 1--     -1.1641                 0.1254                 2.9274
 Delta2 Fr= 1--     -1.3487                 1.5030                 1.3871
 Raman1 Fr= 1--     211.679                137.746               2211.800
 ROA1   Fr= 1--    -154.912                 60.131                325.419
 CID1   Fr= 1--      -0.732                  0.437                  0.147
 Raman2 Fr= 1--      31.937                 20.484                376.905
 ROA2   Fr= 1--     -17.149                 -9.016                 59.161
 CID2   Fr= 1--      -0.537                 -0.440                  0.157
 Raman3 Fr= 1--      63.874                 40.968                753.811
 ROA3   Fr= 1--    -154.912                 60.131                325.419
 CID3   Fr= 1--      -2.425                  1.468                  0.432
 RC180  Fr= 1--      -0.396                 -0.405                 -0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.10  -0.03    -0.07  -0.08   0.02    -0.05  -0.23   0.06
     2   6     0.05  -0.04   0.01    -0.05   0.02  -0.00     0.11   0.25  -0.07
     3   6    -0.06  -0.07   0.02     0.16  -0.06   0.00     0.05  -0.04   0.01
     4   6    -0.02   0.10  -0.02    -0.08   0.07  -0.01    -0.04   0.17  -0.04
     5   6    -0.02   0.04  -0.01    -0.15  -0.09   0.03    -0.06  -0.03   0.01
     6   6     0.10  -0.04   0.00     0.11   0.05  -0.02     0.10  -0.09   0.02
     7   6     0.12  -0.06   0.01     0.11   0.06  -0.02    -0.07   0.03  -0.00
     8   1    -0.02  -0.09   0.02    -0.36   0.14  -0.01     0.36  -0.17   0.03
     9   1    -0.36  -0.21   0.07     0.34   0.29  -0.09    -0.23  -0.15   0.05
    10   1    -0.47   0.19  -0.02     0.02   0.10  -0.03     0.03  -0.06   0.01
    11   6    -0.04  -0.04   0.00     0.03   0.01  -0.01    -0.03  -0.04   0.01
    12   6     0.01   0.00   0.00    -0.01   0.00   0.02    -0.01  -0.00   0.06
    13   6     0.01  -0.00   0.02    -0.00   0.00   0.00     0.01  -0.00   0.01
    14   1     0.38   0.16  -0.04     0.02   0.00   0.00     0.38   0.15  -0.07
    15   1    -0.05  -0.03   0.01     0.04   0.00  -0.04     0.06  -0.09  -0.19
    16   1     0.01  -0.03  -0.02    -0.01  -0.02  -0.07    -0.03  -0.03  -0.27
    17   1    -0.02   0.01  -0.00     0.08   0.01  -0.05     0.11   0.12  -0.21
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.00   0.02    -0.00   0.00   0.00
    21   6    -0.06  -0.02   0.01    -0.12  -0.05   0.02     0.10   0.08  -0.03
    22   6    -0.08   0.18  -0.04    -0.06   0.02  -0.00     0.02  -0.10   0.02
    23   6    -0.02  -0.10   0.02     0.15  -0.06   0.00    -0.14   0.02   0.00
    24   8     0.02  -0.03   0.01     0.00   0.02  -0.00     0.02  -0.00  -0.00
    25   6     0.01   0.03  -0.01    -0.02   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.26   0.10  -0.01    -0.17   0.19  -0.03    -0.26   0.10  -0.01
    27   1    -0.30  -0.19   0.07     0.25   0.23  -0.07    -0.16  -0.11   0.04
    28   1     0.09  -0.16   0.03    -0.42   0.18  -0.02    -0.10   0.01   0.01
    29   1    -0.01  -0.02   0.04     0.10  -0.02   0.00    -0.02   0.01  -0.01
    30   1    -0.01  -0.03  -0.03     0.10  -0.03  -0.01    -0.02   0.01   0.01
    31   1     0.06  -0.08   0.02     0.07  -0.15   0.03    -0.05   0.09  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.3104              1456.4067              1480.1876
 Red. masses --      1.2770                 3.5667                 1.2097
 Frc consts  --      1.5071                 4.4574                 1.5616
 IR Inten    --     11.2387                 1.5386                 8.5230
 RamAct Fr= 1--     35.4853               170.7918                 3.8367
  Dep-P Fr= 1--      0.1604                 0.2511                 0.6428
  Dep-U Fr= 1--      0.2765                 0.4014                 0.7826
 Alpha2 Fr= 1--      0.5342                 2.0178                 0.0074
 Beta2  Fr= 1--      1.6352                11.4273                 0.5004
 AlphaG Fr= 1--     -0.1381                -0.4348                -0.0013
 Gamma2 Fr= 1--     -2.1477                -1.5670                -0.6669
 Delta2 Fr= 1--      0.1199                 0.6379                -0.2062
 Raman1 Fr= 1--     141.941                683.167                 15.347
 ROA1   Fr= 1--    -202.344               -130.019                -70.625
 CID1   Fr= 1--      -1.426                 -0.190                 -4.602
 Raman2 Fr= 1--      19.622                137.128                  6.005
 ROA2   Fr= 1--     -52.505                -42.710                -14.357
 CID2   Fr= 1--      -2.676                 -0.311                 -2.391
 Raman3 Fr= 1--      39.245                274.255                 12.010
 ROA3   Fr= 1--    -202.344               -130.019                -70.625
 CID3   Fr= 1--      -5.156                 -0.474                 -5.880
 RC180  Fr= 1--      -0.447                 -0.197                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.01    -0.16   0.01   0.01     0.02  -0.00  -0.00
     2   6     0.02   0.03  -0.01     0.18  -0.00  -0.01    -0.01  -0.01   0.00
     3   6     0.01  -0.01   0.00     0.13   0.03  -0.02     0.01  -0.02   0.00
     4   6    -0.02   0.02  -0.00     0.02  -0.17   0.04    -0.03   0.01  -0.00
     5   6    -0.02  -0.01   0.00    -0.14   0.05  -0.00    -0.00   0.01  -0.00
     6   6     0.02  -0.00  -0.00     0.13  -0.00  -0.01     0.03  -0.01  -0.00
     7   6    -0.00   0.01  -0.00    -0.11   0.00   0.01     0.01   0.03  -0.01
     8   1     0.06  -0.03  -0.00    -0.41   0.26  -0.04    -0.06   0.01   0.00
     9   1     0.01   0.01  -0.01     0.08   0.23  -0.06    -0.06  -0.03   0.01
    10   1     0.02  -0.00  -0.00    -0.20   0.15  -0.02    -0.08   0.04  -0.00
    11   6     0.01  -0.01  -0.01     0.03   0.05  -0.01     0.00  -0.00  -0.00
    12   6     0.04   0.01  -0.13    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.01   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.03   0.02   0.03    -0.33  -0.12   0.04     0.03   0.01  -0.01
    15   1    -0.24   0.13   0.44     0.08   0.04   0.00     0.02   0.03   0.04
    16   1     0.08   0.00   0.59    -0.02   0.05  -0.04    -0.00  -0.01  -0.02
    17   1    -0.29  -0.23   0.45     0.04  -0.02   0.00     0.04  -0.03   0.02
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.01  -0.01     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.13  -0.05   0.00    -0.05  -0.03   0.01
    22   6    -0.00  -0.01   0.00    -0.04   0.16  -0.04    -0.01  -0.01   0.00
    23   6    -0.02  -0.00   0.00    -0.14  -0.03   0.02    -0.01   0.01  -0.00
    24   8     0.01  -0.00  -0.00     0.02  -0.04   0.01     0.03  -0.01   0.00
    25   6    -0.00   0.00  -0.00     0.01   0.02  -0.00     0.07  -0.07   0.01
    26   1    -0.06   0.03  -0.00     0.18  -0.13   0.02     0.10  -0.00  -0.01
    27   1    -0.03  -0.02   0.01    -0.06  -0.20   0.05     0.16   0.12  -0.04
    28   1    -0.03   0.00   0.00     0.31  -0.24   0.04     0.04  -0.01   0.00
    29   1     0.01  -0.00   0.00    -0.06  -0.02   0.05    -0.43   0.25  -0.21
    30   1     0.01  -0.00  -0.00    -0.07  -0.04  -0.03    -0.41   0.33   0.12
    31   1    -0.00   0.00  -0.00     0.01   0.03  -0.01    -0.21   0.51  -0.11
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1896              1496.3523              1496.4379
 Red. masses --      1.0470                 1.0466                 1.0582
 Frc consts  --      1.3736                 1.3807                 1.3962
 IR Inten    --      8.9871                 8.8947                 5.7811
 RamAct Fr= 1--      6.2761                11.8860                 4.8493
  Dep-P Fr= 1--      0.7183                 0.7498                 0.7290
  Dep-U Fr= 1--      0.8361                 0.8570                 0.8433
 Alpha2 Fr= 1--      0.0034                 0.0000                 0.0017
 Beta2  Fr= 1--      0.8746                 1.6977                 0.6816
 AlphaG Fr= 1--     -0.0077                -0.0024                 0.0383
 Gamma2 Fr= 1--      0.4045                -0.9337                 1.2154
 Delta2 Fr= 1--     -0.7328                 0.3788                 1.4293
 Raman1 Fr= 1--      25.104                 47.544                 19.397
 ROA1   Fr= 1--      15.382                -77.516                162.418
 CID1   Fr= 1--       0.613                 -1.630                  8.373
 Raman2 Fr= 1--      10.495                 20.373                  8.179
 ROA2   Fr= 1--      15.571                -25.439                 17.736
 CID2   Fr= 1--       1.484                 -1.249                  2.168
 Raman3 Fr= 1--      20.989                 40.746                 16.357
 ROA3   Fr= 1--      15.382                -77.516                162.418
 CID3   Fr= 1--       0.733                 -1.902                  9.929
 RC180  Fr= 1--       0.672                  0.714                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
     7   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
     9   1    -0.02  -0.02   0.01    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    10   1    -0.02   0.00   0.00    -0.00   0.00   0.00    -0.03   0.00   0.00
    11   6    -0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   1     0.03   0.01  -0.06     0.00   0.00   0.00     0.04   0.03   0.04
    15   1     0.01   0.24   0.43     0.05   0.02   0.00     0.59   0.29   0.04
    16   1    -0.02  -0.41  -0.30    -0.01   0.05  -0.02    -0.08   0.57  -0.22
    17   1     0.60  -0.32   0.12    -0.01  -0.02   0.03    -0.08  -0.22   0.33
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
    25   6    -0.01   0.00  -0.00    -0.00  -0.01  -0.06    -0.00   0.00   0.00
    26   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.01  -0.00
    28   1     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    29   1     0.03  -0.02   0.01    -0.47  -0.03   0.11     0.06  -0.00  -0.01
    30   1     0.03  -0.02  -0.01     0.48   0.05   0.03    -0.02  -0.01  -0.00
    31   1     0.02  -0.04   0.01     0.05   0.17   0.70     0.01  -0.04  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.5567              1525.5232              1546.8706
 Red. masses --      1.0584                 2.3935                 3.5087
 Frc consts  --      1.4154                 3.2819                 4.9465
 IR Inten    --     49.8362                34.1874                75.4727
 RamAct Fr= 1--     18.2636               132.4138                10.0096
  Dep-P Fr= 1--      0.4406                 0.2484                 0.2175
  Dep-U Fr= 1--      0.6117                 0.3979                 0.3573
 Alpha2 Fr= 1--      0.1162                 1.5765                 0.1297
 Beta2  Fr= 1--      1.8620                 8.7814                 0.5960
 AlphaG Fr= 1--      0.0000                -0.1446                 0.0732
 Gamma2 Fr= 1--      0.2159                -0.8846                -0.5565
 Delta2 Fr= 1--      0.1083                 0.3049                -0.3085
 Raman1 Fr= 1--      73.055                529.655                 40.038
 ROA1   Fr= 1--      24.190                -75.162                -63.301
 CID1   Fr= 1--       0.331                 -0.142                 -1.581
 Raman2 Fr= 1--      22.344                105.377                  7.152
 ROA2   Fr= 1--       4.315                -23.668                -10.888
 CID2   Fr= 1--       0.193                 -0.225                 -1.522
 Raman3 Fr= 1--      44.687                210.754                 14.304
 ROA3   Fr= 1--      24.190                -75.162                -63.301
 CID3   Fr= 1--       0.541                 -0.357                 -4.425
 RC180  Fr= 1--       0.223                 -0.204                 -0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.08  -0.02  -0.00     0.14  -0.05   0.00
     2   6     0.00   0.00  -0.00    -0.12   0.03  -0.00     0.13  -0.07   0.01
     3   6     0.00  -0.00   0.00     0.07  -0.04   0.01    -0.05  -0.06   0.02
     4   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.02   0.17  -0.04
     5   6     0.00   0.01  -0.00     0.06   0.10  -0.03    -0.05  -0.13   0.03
     6   6     0.01  -0.01   0.00     0.11  -0.08   0.01    -0.09   0.10  -0.02
     7   6    -0.01  -0.00   0.00    -0.08   0.06  -0.01    -0.13   0.12  -0.02
     8   1    -0.02   0.01  -0.00    -0.26   0.08  -0.00     0.13  -0.14   0.03
     9   1    -0.03  -0.01   0.00    -0.37  -0.21   0.07     0.26   0.09  -0.04
    10   1    -0.03   0.01  -0.00    -0.40   0.11  -0.00     0.34  -0.07  -0.00
    11   6     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.02  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.17   0.06  -0.02
    15   1    -0.02  -0.01  -0.01    -0.09  -0.06  -0.03     0.03   0.01   0.00
    16   1     0.00  -0.01   0.01     0.02  -0.03   0.09    -0.00   0.02  -0.02
    17   1    -0.01   0.01  -0.01    -0.06   0.05  -0.04    -0.00  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00   0.01  -0.00
    21   6     0.00  -0.00   0.00    -0.05  -0.06   0.02    -0.05  -0.15   0.04
    22   6     0.02   0.01  -0.00     0.14  -0.02  -0.00     0.08   0.16  -0.04
    23   6    -0.01   0.00   0.00    -0.03   0.05  -0.01    -0.10  -0.03   0.01
    24   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.01
    25   6    -0.04  -0.04   0.01    -0.02   0.02  -0.00    -0.01   0.02  -0.00
    26   1     0.01  -0.01   0.00     0.30  -0.09   0.00     0.45  -0.11  -0.00
    27   1    -0.01  -0.01   0.00     0.32   0.20  -0.07     0.38   0.15  -0.06
    28   1     0.04  -0.02   0.00     0.17  -0.02  -0.01     0.24  -0.18   0.03
    29   1     0.20   0.37  -0.48     0.12  -0.15   0.15     0.06  -0.05   0.05
    30   1     0.26   0.55   0.23     0.11  -0.21  -0.08     0.06  -0.07  -0.03
    31   1     0.14  -0.36   0.08     0.05  -0.13   0.03     0.06  -0.12   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1607.0611              1651.6738              1675.6847
 Red. masses --      6.7904                 5.6376                 6.2950
 Frc consts  --     10.3326                 9.0614                10.4143
 IR Inten    --      4.9758                84.6562                86.1766
 RamAct Fr= 1--     77.8329                 6.6657               290.0016
  Dep-P Fr= 1--      0.5572                 0.7446                 0.3695
  Dep-U Fr= 1--      0.7156                 0.8536                 0.5396
 Alpha2 Fr= 1--      0.2855                 0.0006                 2.3873
 Beta2  Fr= 1--      9.2835                 0.9483                26.0822
 AlphaG Fr= 1--      0.1313                 0.0028                -0.2602
 Gamma2 Fr= 1--     -0.3896                 0.1668                -0.0303
 Delta2 Fr= 1--      1.2222                -0.4936                 0.3358
 Raman1 Fr= 1--     311.332                 26.663               1160.006
 ROA1   Fr= 1--       1.706                  0.218                  7.835
 CID1   Fr= 1--       0.005                  0.008                  0.007
 Raman2 Fr= 1--     111.402                 11.380                312.986
 ROA2   Fr= 1--     -19.128                  7.952                 -3.415
 CID2   Fr= 1--      -0.172                  0.699                 -0.011
 Raman3 Fr= 1--     222.804                 22.760                625.972
 ROA3   Fr= 1--       1.706                  0.218                  7.835
 CID3   Fr= 1--       0.008                  0.010                  0.013
 RC180  Fr= 1--       0.431                  0.707                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.27  -0.07    -0.05  -0.02   0.01    -0.25   0.09  -0.01
     2   6    -0.09  -0.26   0.07     0.00   0.00  -0.00     0.24  -0.08   0.00
     3   6     0.10  -0.17   0.03     0.22  -0.12   0.02     0.20  -0.09   0.01
     4   6    -0.04   0.22  -0.05    -0.20   0.10  -0.01    -0.12   0.07  -0.01
     5   6    -0.17  -0.14   0.05     0.24   0.06  -0.03     0.15   0.03  -0.02
     6   6     0.13   0.08  -0.03    -0.24   0.02   0.01    -0.21   0.05   0.00
     7   6    -0.15  -0.09   0.03    -0.19   0.02   0.01     0.25  -0.07   0.00
     8   1    -0.34   0.01   0.02    -0.35   0.09   0.00    -0.32   0.11  -0.01
     9   1     0.18   0.13  -0.04    -0.21  -0.30   0.09    -0.09  -0.16   0.04
    10   1    -0.12   0.19  -0.04     0.18  -0.17   0.03     0.24  -0.14   0.02
    11   6    -0.00  -0.02   0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1     0.17   0.06  -0.02     0.11   0.03  -0.01     0.07   0.02  -0.01
    15   1     0.01  -0.00  -0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.02   0.00     0.01  -0.00   0.03     0.00   0.01   0.01
    17   1    -0.02   0.00   0.00    -0.02   0.00   0.00    -0.01  -0.00   0.01
    18   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00   0.00  -0.02     0.01  -0.00  -0.02
    21   6     0.21   0.16  -0.05     0.20   0.02  -0.02    -0.18  -0.01   0.01
    22   6     0.00  -0.24   0.06    -0.19   0.13  -0.02     0.15  -0.11   0.02
    23   6    -0.05   0.16  -0.04     0.19  -0.13   0.02    -0.23   0.11  -0.01
    24   8     0.01   0.02  -0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.01  -0.01   0.00     0.02  -0.00   0.00    -0.02   0.01  -0.00
    26   1     0.09  -0.20   0.04     0.15  -0.13   0.02    -0.30   0.16  -0.02
    27   1    -0.27  -0.18   0.06    -0.17  -0.25   0.07     0.09   0.20  -0.05
    28   1     0.23   0.05  -0.03    -0.28   0.06   0.00     0.31  -0.11   0.01
    29   1     0.01   0.00  -0.02    -0.06   0.05  -0.04     0.05  -0.04   0.04
    30   1     0.01   0.01   0.01    -0.05   0.06   0.02     0.05  -0.05  -0.02
    31   1    -0.03   0.03  -0.01     0.01   0.03  -0.01    -0.01  -0.02   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.6012              3011.2051              3013.1942
 Red. masses --     10.4357                 1.0347                 1.0813
 Frc consts  --     20.7172                 5.5275                 5.7843
 IR Inten    --    403.0044                66.4052                 9.6799
 RamAct Fr= 1--     22.7396               226.9201                98.9225
  Dep-P Fr= 1--      0.3570                 0.0344                 0.1536
  Dep-U Fr= 1--      0.5262                 0.0666                 0.2662
 Alpha2 Fr= 1--      0.1951                 4.6511                 1.5155
 Beta2  Fr= 1--      1.9942                 2.5175                 4.3893
 AlphaG Fr= 1--     -0.7980                 0.0440                -0.3884
 Gamma2 Fr= 1--     -3.0255                -0.1088                -3.8370
 Delta2 Fr= 1--      0.1509                 0.4251                -3.3672
 Raman1 Fr= 1--      90.958                907.680                395.690
 ROA1   Fr= 1--    -285.618                  3.160               -476.099
 CID1   Fr= 1--      -3.140                  0.003                 -1.203
 Raman2 Fr= 1--      23.930                 30.209                 52.672
 ROA2   Fr= 1--     -73.819                 -6.011                -65.149
 CID2   Fr= 1--      -3.085                 -0.199                 -1.237
 Raman3 Fr= 1--      47.860                 60.419                105.343
 ROA3   Fr= 1--    -285.618                  3.160               -476.099
 CID3   Fr= 1--      -5.968                  0.052                 -4.519
 RC180  Fr= 1--       0.052                 -0.867                 -0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03  -0.03  -0.00    -0.00   0.00  -0.00     0.04  -0.07   0.03
    12   6     0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    13   6     0.59   0.42  -0.17     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.02  -0.04     0.01  -0.03   0.01    -0.42   0.83  -0.34
    15   1     0.01   0.03   0.03    -0.00   0.00  -0.00     0.04  -0.08   0.03
    16   1     0.02   0.05   0.03     0.00  -0.00   0.00     0.01   0.00   0.00
    17   1    -0.06  -0.03   0.10     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    18   8    -0.37  -0.26   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.04  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1    -0.07   0.16   0.41    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.01   0.05  -0.01    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.11  -0.49  -0.45    -0.00  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00    -0.04  -0.23   0.63    -0.00  -0.01   0.02
    31   1    -0.00   0.00   0.00     0.27   0.12  -0.05     0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.3384              3068.4082              3114.0082
 Red. masses --      1.0348                 1.1060                 1.1027
 Frc consts  --      5.6729                 6.1353                 6.3002
 IR Inten    --     16.5044                34.2676                15.7118
 RamAct Fr= 1--    172.3366                71.1751                36.8869
  Dep-P Fr= 1--      0.0246                 0.7500                 0.6531
  Dep-U Fr= 1--      0.0480                 0.8571                 0.7902
 Alpha2 Fr= 1--      3.6150                 0.0000                 0.0640
 Beta2  Fr= 1--      1.3800                10.1678                 4.8579
 AlphaG Fr= 1--     -0.6080                 0.0121                 0.0324
 Gamma2 Fr= 1--      1.0779                -0.6596                -5.7408
 Delta2 Fr= 1--      3.7453                 0.4713                -2.2423
 Raman1 Fr= 1--     689.346                284.700                147.547
 ROA1   Fr= 1--     223.330                -48.240               -622.873
 CID1   Fr= 1--       0.324                 -0.169                 -4.222
 Raman2 Fr= 1--      16.560                122.014                 58.295
 ROA2   Fr= 1--      -4.092                -19.602               -119.842
 CID2   Fr= 1--      -0.247                 -0.161                 -2.056
 Raman3 Fr= 1--      33.120                244.027                116.589
 ROA3   Fr= 1--     223.330                -48.240               -622.873
 CID3   Fr= 1--       6.743                 -0.198                 -5.342
 RC180  Fr= 1--      -0.904                  0.714                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.00   0.05     0.00   0.00  -0.00     0.01  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.07  -0.03
    15   1    -0.25   0.52  -0.23     0.00  -0.00   0.00    -0.30   0.59  -0.28
    16   1     0.47   0.03  -0.03    -0.00  -0.00   0.00    -0.03  -0.02   0.00
    17   1    -0.20  -0.50  -0.32     0.00   0.00   0.00     0.23   0.54   0.36
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.09     0.00   0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.00   0.00   0.00     0.13   0.52   0.45     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.06  -0.25   0.65    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.7215              3137.5546              3155.9987
 Red. masses --      1.1021                 1.0990                 1.0898
 Frc consts  --      6.3725                 6.3745                 6.3954
 IR Inten    --     17.8231                22.9914                 6.2709
 RamAct Fr= 1--    170.2966               192.5013                45.8073
  Dep-P Fr= 1--      0.4943                 0.4286                 0.2863
  Dep-U Fr= 1--      0.6616                 0.6000                 0.4451
 Alpha2 Fr= 1--      0.8632                 1.2833                 0.4893
 Beta2  Fr= 1--     18.7786                19.2507                 3.3985
 AlphaG Fr= 1--      0.6772                -0.0406                -0.2516
 Gamma2 Fr= 1--      6.6748                 0.1088                 0.6944
 Delta2 Fr= 1--     -0.5784                -0.1216                 1.1104
 Raman1 Fr= 1--     681.187                770.005                183.229
 ROA1   Fr= 1--     622.271                  6.550                102.193
 CID1   Fr= 1--       0.914                  0.009                  0.558
 Raman2 Fr= 1--     225.344                231.008                 40.781
 ROA2   Fr= 1--     164.823                  3.583                  7.782
 CID2   Fr= 1--       0.731                  0.016                  0.191
 Raman3 Fr= 1--     450.687                462.016                 81.563
 ROA3   Fr= 1--     622.271                  6.550                102.193
 CID3   Fr= 1--       1.381                  0.014                  1.253
 RC180  Fr= 1--       0.323                  0.200                 -0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.02
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.36   0.89  -0.24
     9   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.10  -0.25   0.11    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88   0.06  -0.07    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    17   1     0.10   0.29   0.18    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.08  -0.05   0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.04  -0.08   0.02
    27   1     0.00  -0.00   0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1     0.00   0.00   0.00     0.02   0.13   0.14     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.05  -0.18     0.00   0.00  -0.00
    31   1     0.01   0.00  -0.00     0.87   0.38  -0.15    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3162.7325              3174.0610              3181.3778
 Red. masses --      1.0866                 1.0892                 1.0944
 Frc consts  --      6.4037                 6.4650                 6.5261
 IR Inten    --      5.1240                 7.3930                12.8746
 RamAct Fr= 1--     82.0775                68.1927               134.4947
  Dep-P Fr= 1--      0.5955                 0.4173                 0.1974
  Dep-U Fr= 1--      0.7465                 0.5889                 0.3298
 Alpha2 Fr= 1--      0.2355                 0.4742                 1.8389
 Beta2  Fr= 1--     10.2114                 6.6932                 7.3920
 AlphaG Fr= 1--      0.1264                -0.0184                 0.1948
 Gamma2 Fr= 1--      1.7937                 0.2117                 0.4428
 Delta2 Fr= 1--      0.5771                 0.3014                -0.1906
 Raman1 Fr= 1--     328.310                272.771                537.979
 ROA1   Fr= 1--     190.662                 29.973                 36.412
 CID1   Fr= 1--       0.581                  0.110                  0.068
 Raman2 Fr= 1--     122.536                 80.318                 88.705
 ROA2   Fr= 1--      38.431                  2.671                 12.152
 CID2   Fr= 1--       0.314                  0.033                  0.137
 Raman3 Fr= 1--     245.073                160.636                177.409
 ROA3   Fr= 1--     190.662                 29.973                 36.412
 CID3   Fr= 1--       0.778                  0.187                  0.205
 RC180  Fr= 1--       0.493                  0.178                 -0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.04  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.04   0.01
     6   6     0.02   0.04  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.02
     7   6     0.00   0.00  -0.00    -0.03  -0.08   0.02    -0.00  -0.00   0.00
     8   1    -0.00  -0.01   0.00     0.04   0.08  -0.02    -0.01  -0.03   0.01
     9   1    -0.51   0.65  -0.13    -0.00   0.01  -0.00    -0.33   0.41  -0.08
    10   1    -0.20  -0.49   0.13     0.00   0.01  -0.00     0.30   0.73  -0.20
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.36   0.87  -0.23     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.11  -0.15   0.03    -0.00   0.00  -0.00
    28   1     0.01   0.03  -0.01     0.02   0.05  -0.01    -0.08  -0.18   0.05
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.4167              3216.8358              3716.2858
 Red. masses --      1.0904                 1.0912                 1.0650
 Frc consts  --      6.5312                 6.6528                 8.6661
 IR Inten    --      6.2467                 6.3038               131.3129
 RamAct Fr= 1--    161.8114               133.8896               127.3493
  Dep-P Fr= 1--      0.2444                 0.2378                 0.2189
  Dep-U Fr= 1--      0.3928                 0.3842                 0.3592
 Alpha2 Fr= 1--      1.9478                 1.6417                 1.6441
 Beta2  Fr= 1--     10.5945                 8.5732                 7.6237
 AlphaG Fr= 1--      0.0153                -0.0210                -2.2117
 Gamma2 Fr= 1--     -0.2160                -0.2521               -24.9478
 Delta2 Fr= 1--     -0.2995                 0.2853                 2.0618
 Raman1 Fr= 1--     647.246                535.558                509.397
 ROA1   Fr= 1--     -30.319                -15.072              -2329.014
 CID1   Fr= 1--      -0.047                 -0.028                 -4.572
 Raman2 Fr= 1--     127.134                102.878                 91.484
 ROA2   Fr= 1--      -2.787                 -8.332               -615.242
 CID2   Fr= 1--      -0.022                 -0.081                 -6.725
 Raman3 Fr= 1--     254.269                205.756                182.968
 ROA3   Fr= 1--     -30.319                -15.072              -2329.014
 CID3   Fr= 1--      -0.119                 -0.073                -12.729
 RC180  Fr= 1--      -0.214                 -0.232                 -0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.05   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.07   0.17  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.84   0.54  -0.09
    21   6     0.00   0.00  -0.00     0.05  -0.07   0.01     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.03  -0.08   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.02  -0.05   0.01     0.07   0.17  -0.04    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.59   0.76  -0.15     0.00  -0.00   0.00
    28   1     0.38   0.87  -0.23     0.00   0.01  -0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1382.138778633.188329145.70260
           X            0.99986  -0.01492  -0.00738
           Y            0.01467   0.99936  -0.03277
           Z            0.00787   0.03265   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06267     0.01003     0.00947
 Rotational constants (GHZ):           1.30576     0.20905     0.19733
 Zero-point vibrational energy     657434.9 (Joules/Mol)
                                  157.13071 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.25    48.57    62.41   109.73   163.21
          (Kelvin)            199.80   265.42   292.02   316.06   334.56
                              363.80   401.31   445.17   546.65   583.61
                              595.53   600.05   695.88   696.48   745.44
                              769.68   808.83   839.14   863.96   906.96
                              992.85  1003.39  1061.31  1118.56  1127.49
                             1180.22  1188.12  1204.31  1232.64  1289.89
                             1327.76  1347.80  1372.54  1391.91  1409.80
                             1480.64  1538.72  1569.12  1581.18  1678.75
                             1686.99  1691.64  1699.80  1711.18  1727.27
                             1733.98  1805.93  1867.04  1867.64  1880.40
                             1907.26  1923.06  1994.74  2019.82  2029.17
                             2036.32  2095.44  2129.66  2146.93  2152.92
                             2153.04  2167.60  2194.89  2225.60  2312.20
                             2376.39  2410.94  2641.02  4332.45  4335.31
                             4388.76  4414.76  4480.36  4507.29  4514.24
                             4540.78  4550.47  4566.77  4577.29  4587.42
                             4628.31  5346.91
 
 Zero-point correction=                           0.250404 (Hartree/Particle)
 Thermal correction to Energy=                    0.265717
 Thermal correction to Enthalpy=                  0.266662
 Thermal correction to Gibbs Free Energy=         0.206220
 Sum of electronic and zero-point Energies=           -767.719664
 Sum of electronic and thermal Energies=              -767.704351
 Sum of electronic and thermal Enthalpies=            -767.703406
 Sum of electronic and thermal Free Energies=         -767.763848
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.740             58.780            127.210
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.056
 Vibrational            164.963             52.818             51.952
 Vibration     1          0.593              1.985              6.470
 Vibration     2          0.594              1.983              5.595
 Vibration     3          0.595              1.980              5.098
 Vibration     4          0.599              1.965              3.985
 Vibration     5          0.607              1.938              3.209
 Vibration     6          0.614              1.914              2.819
 Vibration     7          0.631              1.861              2.283
 Vibration     8          0.639              1.836              2.106
 Vibration     9          0.647              1.811              1.962
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.664              1.758              1.711
 Vibration    12          0.679              1.713              1.540
 Vibration    13          0.699              1.656              1.365
 Vibration    14          0.750              1.513              1.039
 Vibration    15          0.771              1.458              0.942
 Vibration    16          0.778              1.440              0.913
 Vibration    17          0.780              1.433              0.902
 Vibration    18          0.840              1.286              0.700
 Vibration    19          0.840              1.285              0.699
 Vibration    20          0.873              1.210              0.614
 Vibration    21          0.890              1.173              0.576
 Vibration    22          0.918              1.113              0.520
 Vibration    23          0.940              1.068              0.479
 Vibration    24          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.139773D-94        -94.854577       -218.410734
 Total V=0       0.210398D+21         20.323042         46.795534
 Vib (Bot)       0.272455-109       -109.564705       -252.282056
 Vib (Bot)    1  0.953540D+01          0.979339          2.255011
 Vib (Bot)    2  0.613220D+01          0.787616          1.813553
 Vib (Bot)    3  0.476832D+01          0.678365          1.561994
 Vib (Bot)    4  0.270192D+01          0.431673          0.993963
 Vib (Bot)    5  0.180417D+01          0.256277          0.590100
 Vib (Bot)    6  0.146471D+01          0.165753          0.381661
 Vib (Bot)    7  0.108707D+01          0.036258          0.083488
 Vib (Bot)    8  0.981278D+00         -0.008208         -0.018900
 Vib (Bot)    9  0.900564D+00         -0.045485         -0.104734
 Vib (Bot)   10  0.846091D+00         -0.072583         -0.167129
 Vib (Bot)   11  0.770830D+00         -0.113041         -0.260287
 Vib (Bot)   12  0.689694D+00         -0.161344         -0.371508
 Vib (Bot)   13  0.611344D+00         -0.213714         -0.492095
 Vib (Bot)   14  0.475896D+00         -0.322488         -0.742557
 Vib (Bot)   15  0.437592D+00         -0.358931         -0.826469
 Vib (Bot)   16  0.426178D+00         -0.370409         -0.852899
 Vib (Bot)   17  0.421965D+00         -0.374724         -0.862833
 Vib (Bot)   18  0.344703D+00         -0.462555         -1.065072
 Vib (Bot)   19  0.344285D+00         -0.463082         -1.066286
 Vib (Bot)   20  0.312088D+00         -0.505723         -1.164470
 Vib (Bot)   21  0.297577D+00         -0.526401         -1.212084
 Vib (Bot)   22  0.275889D+00         -0.559265         -1.287755
 Vib (Bot)   23  0.260427D+00         -0.584314         -1.345434
 Vib (Bot)   24  0.248541D+00         -0.604601         -1.392146
 Vib (V=0)       0.410123D+06          5.612914         12.924212
 Vib (V=0)    1  0.100485D+02          1.002101          2.307423
 Vib (V=0)    2  0.665255D+01          0.822988          1.895000
 Vib (V=0)    3  0.529446D+01          0.723822          1.666661
 Vib (V=0)    4  0.324780D+01          0.511589          1.177977
 Vib (V=0)    5  0.237217D+01          0.375146          0.863806
 Vib (V=0)    6  0.204770D+01          0.311267          0.716719
 Vib (V=0)    7  0.169655D+01          0.229566          0.528595
 Vib (V=0)    8  0.160132D+01          0.204478          0.470828
 Vib (V=0)    9  0.153006D+01          0.184707          0.425304
 Vib (V=0)   10  0.148279D+01          0.171079          0.393923
 Vib (V=0)   11  0.141879D+01          0.151919          0.349806
 Vib (V=0)   12  0.135187D+01          0.130934          0.301487
 Vib (V=0)   13  0.128977D+01          0.110513          0.254466
 Vib (V=0)   14  0.119027D+01          0.075647          0.174183
 Vib (V=0)   15  0.116444D+01          0.066119          0.152244
 Vib (V=0)   16  0.115698D+01          0.063327          0.145816
 Vib (V=0)   17  0.115426D+01          0.062303          0.143458
 Vib (V=0)   18  0.110731D+01          0.044267          0.101930
 Vib (V=0)   19  0.110707D+01          0.044174          0.101715
 Vib (V=0)   20  0.108941D+01          0.037190          0.085632
 Vib (V=0)   21  0.108185D+01          0.034168          0.078674
 Vib (V=0)   22  0.107106D+01          0.029816          0.068653
 Vib (V=0)   23  0.106376D+01          0.026842          0.061807
 Vib (V=0)   24  0.105837D+01          0.024636          0.056726
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.373952D+07          6.572816         15.134467
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655544444444333322222111110000999998888877766665555444443322222111    
     1            1887653316511                             3750420999851108320995008877699628653295322873993086318811080753208317432
     6            7814368348031                             6627767662065046767885519163791990747377760478700032584474609933034936342
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX XXX         X X XX  X X    X      X           X  X                   
     X                        X                             XXX X           X X XX  X X    X                                         
     X                                                      XXX X           X X XX    X                                              
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
                                                            X                 X X                                                    
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001794   -0.000000985    0.000000243
      2        6           0.000002109   -0.000001420    0.000000115
      3        6          -0.000002264   -0.000001078    0.000000118
      4        6           0.000000100    0.000001040    0.000001378
      5        6           0.000001357    0.000000498   -0.000000323
      6        6          -0.000001937    0.000000896   -0.000000518
      7        6          -0.000002351    0.000000313    0.000000201
      8        1           0.000000290    0.000000696    0.000000174
      9        1           0.000000226   -0.000000047   -0.000000068
     10        1           0.000000516   -0.000000305   -0.000000097
     11        6           0.000002790    0.000001082   -0.000002405
     12        6           0.000002238    0.000000670    0.000001504
     13        6          -0.000010757   -0.000003045    0.000009697
     14        1           0.000000020    0.000000448   -0.000000071
     15        1          -0.000000449   -0.000000003   -0.000000083
     16        1          -0.000000169    0.000000520    0.000000081
     17        1          -0.000000550    0.000000615    0.000000133
     18        8           0.000006505    0.000003850   -0.000003189
     19        8           0.000001760   -0.000001745   -0.000007030
     20        1           0.000000842    0.000000284    0.000000411
     21        6          -0.000000446    0.000002132   -0.000000821
     22        6           0.000006738   -0.000003367    0.000000763
     23        6          -0.000003416    0.000002209    0.000000172
     24        8          -0.000006440    0.000003526   -0.000002390
     25        6           0.000002905   -0.000006946    0.000002879
     26        1           0.000000250   -0.000000069    0.000000080
     27        1          -0.000000246   -0.000000864    0.000000319
     28        1           0.000000355   -0.000000411   -0.000000191
     29        1          -0.000000298    0.000000484   -0.000000222
     30        1          -0.000000509    0.000000478   -0.000000815
     31        1          -0.000000964    0.000000546   -0.000000044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010757 RMS     0.000002558
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.296682D+03 -0.169815D+02 -0.796957D+01
      2  -0.169815D+02  0.177762D+03 -0.111021D+02
      3  -0.796957D+01 -0.111021D+02  0.124112D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.576881D+01  0.210916D+02 -0.299058D+01
      2  -0.174433D+01 -0.158693D+02 -0.245765D+02
      3   0.129615D+03 -0.569543D+02  0.194564D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.364860D+03 -0.185782D+03  0.169588D+02
      2  -0.180828D+03  0.146716D+03 -0.506850D+02
      3  -0.184032D+03  0.390654D+02  0.337262D+02
      4  -0.109125D+03  0.101245D+03 -0.434899D+02
      5   0.801010D+02 -0.527285D+02 -0.488686D+02
      6  -0.174926D+02  0.163040D+02 -0.313538D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.401138D+02  0.119287D+02 -0.653978D+00 -0.389266D+02  0.819170D+01
      2   0.119287D+02 -0.766535D+01  0.107935D+01  0.819170D+01 -0.644024D+01
      3  -0.653978D+00  0.107935D+01 -0.131345D+00  0.424482D-01  0.942152D+00
                 6             7             8             9            10 
      1   0.424482D-01  0.121113D+02 -0.309335D+01 -0.105393D+01  0.379910D+02
      2   0.942152D+00 -0.309335D+01  0.168223D+01 -0.111290D+01 -0.116703D+02
      3   0.939434D-01 -0.105393D+01 -0.111290D+01  0.569500D+00  0.468084D+00
                11            12            13            14            15 
      1  -0.116703D+02  0.468084D+00  0.423722D+02 -0.933372D+01  0.129694D+00
      2   0.384006D+01 -0.221682D+00 -0.933372D+01  0.881492D+01 -0.145020D+01
      3  -0.221682D+00 -0.130720D+00  0.129694D+00 -0.145020D+01 -0.798907D-01
                16            17            18            19            20 
      1  -0.125355D+02  0.323661D+01  0.741475D+00  0.398365D+02 -0.117937D+02
      2   0.323661D+01 -0.195024D+01  0.123562D+01 -0.117937D+02  0.110598D+02
      3   0.741475D+00  0.123562D+01 -0.366082D+00  0.728983D+00 -0.210737D+01
                21            22            23            24            25 
      1   0.728983D+00 -0.200594D+02  0.409047D+01 -0.378063D+00  0.302085D+01
      2  -0.210737D+01  0.409047D+01 -0.756290D+01  0.387539D+00 -0.793913D+00
      3   0.540877D+00 -0.378063D+00  0.387539D+00 -0.165436D+01 -0.457712D+00
                26            27            28            29            30 
      1  -0.793913D+00 -0.457712D+00 -0.440023D+02  0.661356D+01  0.507453D+00
      2  -0.451767D+00 -0.283307D+01  0.661356D+01 -0.437717D+01  0.710016D-01
      3  -0.283307D+01  0.209925D+01  0.507453D+00  0.710016D-01 -0.205393D+01
                31            32            33            34            35 
      1   0.101092D+02 -0.314428D+01 -0.966503D+00 -0.379313D+01 -0.601030D+00
      2  -0.314428D+01  0.167707D+02 -0.374071D+01 -0.601030D+00 -0.307086D+01
      3  -0.966503D+00 -0.374071D+01  0.743821D+00 -0.573164D+01  0.166048D+01
                36            37            38            39            40 
      1  -0.573164D+01 -0.541317D+01 -0.198868D+01  0.421115D+00  0.803180D+01
      2   0.166048D+01 -0.198868D+01 -0.135602D+02  0.288959D+01 -0.177392D+01
      3   0.182266D+00  0.421115D+00  0.288959D+01 -0.333137D+01 -0.932099D+00
                41            42            43            44            45 
      1  -0.177392D+01 -0.932099D+00 -0.177299D+01 -0.803757D+00 -0.507184D+01
      2  -0.669303D+01  0.273077D+01 -0.803757D+00  0.382329D+01  0.193251D+01
      3   0.273077D+01  0.723387D+00 -0.507184D+01  0.193251D+01 -0.740418D+00
                46            47            48            49            50 
      1   0.118698D+02  0.983299D+00 -0.489082D+00 -0.135743D+00 -0.290637D+01
      2   0.983299D+00  0.975759D+01 -0.154102D+01 -0.290637D+01  0.516302D+00
      3  -0.489082D+00 -0.154102D+01  0.264778D+01  0.105549D+01  0.156176D+01
                51            52            53            54            55 
      1   0.105549D+01 -0.362928D+00  0.114355D+01  0.922833D+00 -0.631014D+01
      2   0.156176D+01  0.114355D+01  0.154833D+01  0.378957D+01 -0.252288D+01
      3   0.104305D+01  0.922833D+00  0.378957D+01 -0.266720D+01  0.817658D+00
                56            57            58            59            60 
      1  -0.252288D+01  0.817658D+00 -0.464174D+00  0.335957D+01 -0.115969D+01
      2  -0.520263D+01  0.596287D+00  0.335957D+01 -0.269658D+01 -0.854029D+00
      3   0.596287D+00 -0.251123D+01 -0.115969D+01 -0.854029D+00 -0.969968D+00
                61            62            63            64            65 
      1   0.314450D+00 -0.119333D+01 -0.545817D+00 -0.161771D+01 -0.231590D+01
      2  -0.119333D+01 -0.972010D+00 -0.348529D+01 -0.231590D+01 -0.111005D+01
      3  -0.545817D+00 -0.348529D+01  0.253419D+01  0.549874D+00  0.283986D+00
                66            67            68            69            70 
      1   0.549874D+00 -0.303753D+01 -0.278562D+01  0.835105D+00  0.766090D+00
      2   0.283986D+00 -0.278562D+01 -0.537650D+01  0.129687D+01  0.822146D+00
      3  -0.409980D+00  0.835105D+00  0.129687D+01 -0.110527D+01 -0.368760D+00
                71            72            73            74            75 
      1   0.822146D+00 -0.368760D+00 -0.568560D+01  0.356358D+01 -0.462292D+00
      2   0.134665D+01 -0.526392D+00  0.356358D+01 -0.362410D+01  0.561644D+00
      3  -0.526392D+00  0.363223D+00 -0.462292D+00  0.561644D+00 -0.492433D+00
                76            77            78            79            80 
      1   0.378262D+01 -0.464892D+01  0.993370D+00 -0.595004D+00  0.108675D+01
      2  -0.464892D+01  0.658111D+01 -0.102403D+01  0.108675D+01 -0.126146D+01
      3   0.993370D+00 -0.102403D+01  0.863551D+00  0.250994D+00  0.518096D+00
                81            82            83            84            85 
      1   0.250994D+00  0.133425D+01  0.189192D+01 -0.520755D+00  0.736652D+00
      2   0.518096D+00  0.189192D+01  0.280886D+01 -0.727228D+00  0.196051D+01
      3  -0.333686D+00 -0.520755D+00 -0.727228D+00  0.466890D+00 -0.477723D+00
                86            87            88            89            90 
      1   0.196051D+01 -0.477723D+00 -0.314649D+00 -0.586620D+00  0.143342D+00
      2   0.979211D+01 -0.224764D+01 -0.586620D+00 -0.265310D+01  0.673382D+00
      3  -0.224764D+01  0.137284D+01  0.143342D+00  0.673382D+00 -0.405123D+00
                91            92            93            94            95 
      1   0.132491D+02 -0.189996D+01  0.363407D+00  0.419008D+01  0.157584D+01
      2  -0.189996D+01  0.171700D+01  0.815082D+00  0.157584D+01 -0.242893D+01
      3   0.363407D+00  0.815082D+00  0.289535D+01  0.608784D+00  0.256285D+01
                96            97            98            99           100 
      1   0.608784D+00 -0.370368D+01  0.139097D+01  0.761938D+01  0.896410D+01
      2   0.256285D+01  0.139097D+01  0.217185D+01 -0.103562D+00  0.327946D+00
      3   0.109805D+01  0.761938D+01 -0.103562D+00 -0.210623D+01 -0.192957D+01
               101           102           103           104           105 
      1   0.327946D+00 -0.192957D+01 -0.176958D+00 -0.207577D+01 -0.235782D+00
      2  -0.191087D+01 -0.391200D+00 -0.207577D+01 -0.620978D-01 -0.388843D+01
      3  -0.391200D+00 -0.229875D+01 -0.235782D+00 -0.388843D+01 -0.932860D+00
               106           107           108           109           110 
      1   0.562471D+01 -0.738829D+00 -0.523625D+01  0.416143D+01  0.326209D+01
      2  -0.738829D+00 -0.276196D+01 -0.285491D+00  0.326209D+01  0.119656D+01
      3  -0.523625D+01 -0.285491D+00  0.310758D+01 -0.181565D+01 -0.715701D+00
               111           112           113           114           115 
      1  -0.181565D+01  0.393191D+00  0.142977D+01 -0.136956D+01 -0.593499D+01
      2  -0.715701D+00  0.142977D+01  0.324764D+00 -0.127408D+01 -0.156855D+01
      3  -0.109264D+01 -0.136956D+01 -0.127408D+01 -0.745272D+00 -0.302792D+01
               116           117           118           119           120 
      1  -0.156855D+01 -0.302792D+01 -0.159593D+01  0.239774D+01 -0.101130D+01
      2  -0.185644D+01 -0.533434D-01  0.239774D+01 -0.200165D+01  0.156514D+00
      3  -0.533434D-01  0.171449D-01 -0.101130D+01  0.156514D+00 -0.128250D+01
               121           122           123           124           125 
      1   0.448169D+01 -0.229170D+01  0.284761D+00 -0.159915D+01  0.215093D+00
      2  -0.229170D+01  0.517380D+01 -0.131527D+01  0.215093D+00 -0.156692D+01
      3   0.284761D+00 -0.131527D+01  0.141509D+01 -0.162923D+01  0.116885D+01
               126           127           128           129           130 
      1  -0.162923D+01  0.177549D+00 -0.757921D+00  0.416025D+00 -0.196938D+01
      2   0.116885D+01 -0.757921D+00  0.921540D+00 -0.415133D+00  0.294575D+00
      3  -0.777433D+00  0.416025D+00 -0.415133D+00  0.147238D+01  0.351981D+00
               131           132           133           134           135 
      1   0.294575D+00  0.351981D+00  0.586040D+00 -0.171097D-01  0.255872D+00
      2  -0.335849D+01  0.218877D+01 -0.171097D-01  0.170764D+01 -0.141016D+01
      3   0.218877D+01 -0.270305D+01  0.255872D+00 -0.141016D+01  0.226903D+01
               136           137           138           139           140 
      1  -0.151146D+02  0.131648D+00  0.375799D+01 -0.623710D+00 -0.112250D+01
      2   0.131648D+00 -0.788320D+00 -0.198639D+00 -0.112250D+01 -0.764584D-01
      3   0.375799D+01 -0.198639D+00 -0.240874D+01  0.530168D-01  0.723532D+00
               141           142           143           144           145 
      1   0.530168D-01  0.160853D+01  0.162018D+00 -0.140042D+01 -0.342209D+00
      2   0.723532D+00  0.162018D+00  0.171380D+00 -0.114823D-01  0.873487D+00
      3  -0.100065D+00 -0.140042D+01 -0.114823D-01  0.513960D+00  0.743658D+00
               146           147           148           149           150 
      1   0.873487D+00  0.743658D+00  0.140218D+01  0.173226D+00 -0.370385D+00
      2   0.104431D+01  0.687952D+00  0.173226D+00  0.406162D+01  0.315283D+01
      3   0.687952D+00  0.151350D+01 -0.370385D+00  0.315283D+01  0.358373D+01
               151           152           153           154           155 
      1   0.213338D+00 -0.661137D-01  0.154589D+00 -0.147984D+02 -0.494968D+01
      2  -0.661137D-01  0.226717D+01  0.238740D+01 -0.494968D+01 -0.274995D+01
      3   0.154589D+00  0.238740D+01  0.378899D+01  0.112997D+01 -0.584957D-01
               156           157           158           159           160 
      1   0.112997D+01 -0.734967D+01 -0.572350D+01  0.721646D+00  0.147146D+01
      2  -0.584957D-01 -0.572350D+01 -0.488875D+01  0.678771D+00  0.649024D+00
      3  -0.209859D+01  0.721646D+00  0.678771D+00 -0.121584D+01 -0.237454D+01
               161           162           163           164           165 
      1   0.649024D+00 -0.237454D+01 -0.821162D+01 -0.302278D+01 -0.240312D+01
      2   0.123077D+01 -0.133833D+01 -0.302278D+01 -0.483725D+00  0.231191D-01
      3  -0.133833D+01  0.176910D+01 -0.240312D+01  0.231191D-01 -0.703863D+00
               166           167           168           169           170 
      1  -0.586261D+01 -0.122646D+01 -0.808655D+00  0.426882D+00  0.135721D+00
      2  -0.122646D+01 -0.117915D+01 -0.181851D+01  0.135721D+00 -0.333053D+00
      3  -0.808655D+00 -0.181851D+01 -0.199252D+01 -0.653192D+00 -0.145893D+01
               171           172           173           174           175 
      1  -0.653192D+00  0.777593D+01  0.254310D+01  0.599519D+00  0.660945D+01
      2  -0.145893D+01  0.254310D+01  0.917045D+00  0.391608D+00  0.140309D+01
      3  -0.654520D+01  0.599519D+00  0.391608D+00  0.202033D+01  0.100890D+01
               176           177           178           179           180 
      1   0.140309D+01  0.100890D+01  0.265546D+01  0.607987D+00  0.136704D+01
      2   0.563886D+00 -0.369416D+00  0.607987D+00 -0.948865D+00  0.641751D+00
      3  -0.369416D+00  0.137833D+01  0.136704D+01  0.641751D+00 -0.132120D+01
               181           182           183           184           185 
      1   0.534592D+01  0.227389D+01 -0.509403D+00 -0.131946D+02  0.438364D+01
      2   0.227389D+01  0.939248D+01 -0.203973D+01  0.438364D+01  0.323705D+01
      3  -0.509403D+00 -0.203973D+01  0.304430D+01  0.498682D+00 -0.219476D+01
               186           187           188           189           190 
      1   0.498682D+00  0.318287D+01 -0.391982D+00  0.379867D+01  0.408210D+02
      2  -0.219476D+01 -0.391982D+00 -0.287491D+01 -0.214124D+01 -0.910350D+01
      3  -0.120297D+01  0.379867D+01 -0.214124D+01  0.959854D+00  0.505831D+00
               191           192           193           194           195 
      1  -0.910350D+01  0.505831D+00 -0.523235D+01  0.288687D+01  0.136183D+01
      2   0.997842D+01 -0.934240D+00  0.288687D+01 -0.137753D+02  0.283049D+01
      3  -0.934240D+00  0.438887D+01  0.136183D+01  0.283049D+01 -0.881600D+00
               196           197           198           199           200 
      1  -0.356232D+00  0.145520D+01  0.664395D+01 -0.366369D+02  0.125243D+02
      2   0.145520D+01  0.205058D+01 -0.195662D+01  0.125243D+02 -0.921524D+01
      3   0.664395D+01 -0.195662D+01 -0.189077D+00 -0.748382D+00  0.172929D+01
               201           202           203           204           205 
      1  -0.748382D+00  0.199023D+02 -0.625191D+01  0.641373D+00 -0.227164D+01
      2   0.172929D+01 -0.625191D+01  0.811473D+01  0.149279D+00  0.119251D+01
      3  -0.641184D+00  0.641373D+00  0.149279D+00  0.238056D+01  0.399804D+00
               206           207           208           209           210 
      1   0.119251D+01  0.399804D+00 -0.121294D+02  0.576630D+01 -0.774215D+00
      2   0.905282D+00  0.402497D+01  0.576630D+01 -0.447052D+01  0.669891D+00
      3   0.402497D+01 -0.285000D+01 -0.774215D+00  0.669891D+00 -0.564691D+00
               211           212           213           214           215 
      1  -0.758476D+00  0.271226D+01 -0.700713D+00  0.944277D+00 -0.948863D+00
      2   0.271226D+01  0.962058D+00 -0.555934D+00 -0.948863D+00  0.336494D+00
      3  -0.700713D+00 -0.555934D+00 -0.113398D+01  0.203150D+00  0.639813D+00
               216           217           218           219           220 
      1   0.203150D+00 -0.166048D+01 -0.443287D+01  0.103487D+01 -0.495687D+01
      2   0.639813D+00 -0.443287D+01  0.190350D+01  0.194494D+00 -0.113589D+01
      3  -0.108117D-01  0.103487D+01  0.194494D+00 -0.774164D-01  0.519035D+00
               221           222           223           224           225 
      1  -0.113589D+01  0.519035D+00  0.102097D+01  0.423439D+00 -0.215818D+01
      2   0.246022D+01  0.216570D+01  0.423439D+00  0.166819D+01  0.406978D+01
      3   0.216570D+01  0.547514D+01 -0.215818D+01  0.406978D+01 -0.340156D+01
               226           227           228           229           230 
      1  -0.948605D+00 -0.165969D+01  0.461813D+00 -0.497859D+00 -0.135537D+01
      2  -0.165969D+01 -0.240727D+01  0.638805D+00 -0.135537D+01 -0.851630D+01
      3   0.461813D+00  0.638805D+00 -0.414510D+00  0.351252D+00  0.195273D+01
               231           232           233           234           235 
      1   0.351252D+00  0.218405D+00  0.497902D+00 -0.716100D-02  0.581165D+01
      2   0.195273D+01  0.497902D+00  0.225573D+01 -0.604863D+00 -0.318267D+01
      3  -0.127472D+01 -0.716100D-02 -0.604863D+00  0.390478D+00  0.389554D+00
               236           237           238           239           240 
      1  -0.318267D+01  0.389554D+00 -0.451277D+01  0.448077D+01 -0.945760D+00
      2   0.277222D+01 -0.406826D+00  0.448077D+01 -0.563762D+01  0.933689D+00
      3  -0.406826D+00  0.343228D+00 -0.945760D+00  0.933689D+00 -0.729024D+00
               241           242           243           244           245 
      1   0.723298D+00 -0.102568D+01 -0.232882D+00  0.202292D+01  0.289837D+01
      2  -0.102568D+01  0.118807D+01 -0.280750D+00  0.289837D+01  0.214585D+01
      3  -0.232882D+00 -0.280750D+00  0.251173D+00 -0.784772D+00 -0.594725D+00
               246           247           248           249           250 
      1  -0.784772D+00  0.341957D+01  0.355976D+01 -0.961423D+00 -0.965756D+00
      2  -0.594725D+00  0.355976D+01  0.695482D+01 -0.170323D+01 -0.102265D+01
      3   0.596168D+00 -0.961423D+00 -0.170323D+01  0.128097D+01  0.541310D+00
               251           252           253           254           255 
      1  -0.102265D+01  0.541310D+00 -0.292708D+00 -0.230545D+00 -0.910732D+00
      2  -0.190878D+01  0.489167D+00 -0.230545D+00 -0.517604D+00 -0.323044D-01
      3   0.489167D+00 -0.405800D+00 -0.910732D+00 -0.323044D-01 -0.507885D+00
               256           257           258           259           260 
      1  -0.205981D+01  0.234782D+01  0.117447D+01 -0.314629D+01  0.157783D+01
      2   0.234782D+01 -0.500804D+01 -0.284024D+01  0.157783D+01 -0.300764D+01
      3   0.117447D+01 -0.284024D+01 -0.282192D+01  0.185590D+01 -0.295276D+01
               261           262           263           264           265 
      1   0.185590D+01  0.452419D+00  0.187232D-01  0.128183D+01 -0.622324D+00
      2  -0.295276D+01  0.187232D-01 -0.319210D+00 -0.314361D+00  0.131073D+01
      3  -0.318009D+01  0.128183D+01 -0.314361D+00  0.425959D-01 -0.100312D+01
               266           267           268           269           270 
      1   0.131073D+01 -0.100312D+01  0.446817D+01 -0.159666D+01  0.322363D+01
      2  -0.179407D+01  0.141254D+01 -0.159666D+01  0.172720D+01 -0.251908D+01
      3   0.141254D+01 -0.221224D+01  0.322363D+01 -0.251908D+01  0.671220D+01
               271           272           273           274           275 
      1   0.150601D+02  0.153237D+01 -0.116439D+01  0.500989D+01  0.161535D+01
      2   0.153237D+01  0.948575D+00 -0.899528D-01  0.161535D+01  0.116633D+01
      3  -0.116439D+01 -0.899528D-01  0.117950D+01 -0.322360D+00 -0.393779D+00
               276           277           278           279 
      1  -0.322360D+00 -0.200515D+01 -0.148296D+00  0.182753D+01
      2  -0.393779D+00 -0.148296D+00 -0.462855D+00 -0.157116D+00
      3   0.303087D+00  0.182753D+01 -0.157116D+00 -0.228021D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.233871D+01  0.234100D+01 -0.854183D+00  0.193158D+01 -0.684468D+00
      2   0.210879D+01  0.869873D+01 -0.173916D+01  0.657629D+01 -0.695136D+01
      3  -0.161291D+02  0.411647D+02 -0.929780D+01  0.190045D+02 -0.278671D+02
                 6             7             8             9            10 
      1   0.156895D+00 -0.482196D+01  0.851226D+01 -0.172933D+01 -0.208195D+00
      2   0.219888D+01 -0.199167D+02  0.390277D+01 -0.827440D-01 -0.314225D+00
      3   0.583238D+01  0.126926D+01  0.292028D+01 -0.287873D+00  0.321997D+02
                11            12            13            14            15 
      1   0.348427D+01 -0.122747D+01  0.190657D-01  0.969515D+00  0.111331D+01
      2   0.956283D+01 -0.696453D+01  0.466001D+01 -0.615276D+01  0.898797D+00
      3   0.362792D+02 -0.959361D+01  0.681053D+02 -0.334653D+02  0.413717D+01
                16            17            18            19            20 
      1  -0.504405D+01  0.687682D+01 -0.199394D+01 -0.317892D+01 -0.443272D+00
      2  -0.212515D+02  0.367770D+01  0.769665D+00 -0.460946D+01 -0.718760D+01
      3  -0.131431D+02  0.464177D+01 -0.706996D+00  0.144506D+02 -0.375731D+02
                21            22            23            24            25 
      1   0.478381D+00 -0.425461D+00 -0.275742D+00 -0.143585D+01 -0.494587D+01
      2   0.128841D+01 -0.244332D+01  0.261113D+01  0.741520D+00 -0.179682D+02
      3   0.849786D+01 -0.796548D+01  0.649682D+01 -0.218419D+01  0.724896D+01
                26            27            28            29            30 
      1   0.289775D+01 -0.100484D+01 -0.754305D+00  0.121711D+01  0.519290D+00
      2   0.704502D+01 -0.171160D+01 -0.107818D+01  0.253643D+01  0.977367D+00
      3  -0.230339D+01 -0.125458D+01 -0.345330D+02  0.116308D+02 -0.120743D+01
                31            32            33            34            35 
      1   0.446262D+01  0.492472D+01  0.218521D+00  0.348151D+01  0.118482D+02
      2   0.312330D+01 -0.128614D+01  0.277284D+00 -0.127805D+02  0.135096D+01
      3   0.322762D+02 -0.109796D+02 -0.556894D+00 -0.404635D+01 -0.923055D+00
                36            37            38            39            40 
      1  -0.274696D+01  0.185164D+00  0.104251D+01  0.817487D+01  0.290062D+01
      2   0.627497D+00 -0.420594D+01  0.142548D+01  0.190990D+01 -0.209688D+01
      3  -0.342226D+01 -0.188250D+02  0.498476D+01 -0.155987D+01  0.810528D+01
                41            42            43            44            45 
      1  -0.389354D+00 -0.167365D+01  0.166017D+02  0.441003D+01 -0.179232D+01
      2  -0.261752D+01 -0.129715D+01 -0.780030D+01 -0.682271D+01  0.201661D+01
      3  -0.489973D-01 -0.121388D+01 -0.205394D+01 -0.564190D+00 -0.657767D+01
                46            47            48            49            50 
      1   0.159838D+00 -0.323877D+01 -0.677922D+01 -0.266366D+01 -0.548141D+00
      2   0.626757D+01 -0.763947D+01  0.159636D+01 -0.564085D+01  0.667309D+01
      3   0.364195D+02 -0.324363D+02  0.667162D+01 -0.649029D+01  0.247639D+02
                51            52            53            54            55 
      1  -0.364373D+01 -0.855909D+01 -0.419904D+01  0.416020D+01  0.808322D+00
      2  -0.141210D+01 -0.150384D+02 -0.158782D+00  0.201937D+01  0.730265D+01
      3  -0.415898D+01  0.397091D+01 -0.267499D+01  0.520626D+01  0.343523D+02
                56            57            58            59            60 
      1  -0.437465D+01 -0.509118D+01 -0.161777D+01  0.602516D+00 -0.258137D+01
      2  -0.898048D+01 -0.437497D+01 -0.656680D+01  0.591897D+01 -0.247760D+01
      3  -0.319928D+02  0.812131D+01 -0.555805D+01  0.309332D+02 -0.411886D+01
                61            62            63            64            65 
      1  -0.756698D+01 -0.193160D+01  0.201193D+01 -0.551025D+00 -0.538972D+00
      2  -0.201273D+02 -0.256923D+01  0.583853D+01  0.673269D+00  0.729305D+00
      3   0.588259D+01 -0.214325D+01  0.979795D+01  0.357235D+00 -0.253531D+00
                66            67            68            69            70 
      1  -0.131829D+01 -0.784960D+00 -0.158590D+01 -0.286649D+01 -0.872969D+00
      2   0.420478D+00  0.113066D+01 -0.498758D+00  0.179871D+01 -0.238431D+01
      3   0.234222D+00  0.335690D+01 -0.581932D+01  0.127333D+01  0.624944D-01
                71            72            73            74            75 
      1   0.263027D+01  0.161016D+00 -0.467161D+00  0.404631D+00  0.246406D+01
      2  -0.874329D+00  0.510213D-01 -0.163473D+01  0.195589D+00  0.182884D+01
      3   0.136389D+01  0.236506D+00 -0.102642D+02  0.165097D+01 -0.213591D+00
                76            77            78            79            80 
      1  -0.134044D+01  0.367095D+00 -0.372053D+01 -0.291667D+01  0.105872D+01
      2  -0.525037D+00  0.343633D+00 -0.251700D+01 -0.225050D+01 -0.247627D+00
      3   0.373619D+01  0.638149D+00  0.749575D+00  0.574428D+00 -0.143267D+00
                81            82            83            84            85 
      1   0.680393D+00  0.627503D+00  0.394472D+00 -0.186422D+01  0.647378D+00
      2   0.801175D+00  0.124280D+01  0.736440D+00  0.604667D+00  0.979071D+00
      3   0.113001D+01  0.605633D+01  0.314422D+01 -0.128336D+01  0.515469D+01
                86            87            88            89            90 
      1   0.124961D+01 -0.515664D+01  0.118457D+01  0.241204D+01  0.597963D+00
      2   0.112714D+01  0.983881D+00 -0.124476D+01  0.361534D+00 -0.614537D+00
      3   0.362788D+01 -0.145346D+01 -0.135358D+01 -0.183907D+01 -0.306229D+00
                91            92            93            94            95 
      1   0.277170D+01  0.114530D+01 -0.175361D+01  0.593283D+01  0.404531D+00
      2  -0.431018D+01 -0.185282D+01 -0.680186D+01 -0.196708D+01 -0.113139D+02
      3   0.114582D+02  0.222762D+01  0.203800D+01  0.236832D+02 -0.140077D+02
                96            97            98            99           100 
      1  -0.206223D+01 -0.200123D+01  0.565556D+01  0.105728D+01  0.357847D+01
      2  -0.197751D+01 -0.336575D+02  0.794924D+00  0.576598D+01 -0.112378D+02
      3   0.109676D+02 -0.138856D+01  0.139885D+02  0.742072D+01  0.518430D+01
               101           102           103           104           105 
      1  -0.690414D+01  0.918371D+00 -0.274704D+01  0.447816D+00 -0.128402D+02
      2  -0.688150D+00  0.177767D+02 -0.257342D+01  0.207270D+02  0.376305D+01
      3  -0.150671D+02 -0.344829D+00 -0.871592D+01  0.124791D+01 -0.174769D+02
               106           107           108           109           110 
      1   0.332906D+01 -0.675136D+01 -0.395567D+01 -0.307997D+01  0.235626D+01
      2   0.181934D+02  0.326090D+00 -0.641394D+01  0.112248D+02  0.674783D+01
      3   0.722297D+01 -0.162436D+02 -0.578971D+01 -0.864938D+01  0.493971D+01
               111           112           113           114           115 
      1   0.995139D+01 -0.875440D+01 -0.790162D+01 -0.571429D+01  0.915271D+01
      2   0.495988D+01  0.700492D+01  0.524569D+01 -0.789485D+01  0.514363D+01
      3  -0.891837D+01  0.572369D+01  0.162369D+02 -0.456722D+01 -0.131510D+02
               116           117           118           119           120 
      1   0.188548D+01  0.537966D+01  0.147140D+01 -0.105995D+01  0.115123D+01
      2  -0.257252D+01  0.448875D+01  0.430879D+01 -0.163151D+01  0.565243D+01
      3  -0.925362D+01 -0.381188D+01  0.926396D+01 -0.724498D+01  0.209538D+00
               121           122           123           124           125 
      1  -0.130312D+01  0.186942D+01 -0.293363D+01  0.963186D+00 -0.321796D+00
      2  -0.175784D+01  0.595176D+01 -0.557777D+01  0.360402D+01 -0.423330D+01
      3  -0.135736D+01  0.187550D+02 -0.517345D+01 -0.868711D+00 -0.644696D+01
               126           127           128           129           130 
      1   0.952513D+00 -0.273279D+01  0.332569D+01 -0.111262D+01  0.154631D+01
      2   0.314451D+01 -0.421701D+01  0.401486D+01 -0.599883D+01  0.382082D+01
      3   0.302318D+01 -0.522590D+01  0.452610D+01 -0.227274D+01  0.401965D+01
               131           132           133           134           135 
      1  -0.938688D+01  0.359607D+01 -0.666075D+00  0.537997D+01 -0.319776D+01
      2  -0.104920D+02  0.997269D+01 -0.328860D+01  0.567627D+01 -0.903321D+01
      3  -0.140908D+02  0.929350D+01 -0.554910D+00  0.634708D+01 -0.567473D+01
               136           137           138           139           140 
      1  -0.257103D+01 -0.256163D+01  0.742498D+00 -0.248722D+01 -0.998824D+00
      2   0.103903D+02  0.718466D+00  0.719430D+01  0.754668D+00 -0.106381D+01
      3  -0.728112D+01 -0.610588D+01  0.119579D+01 -0.407323D+01 -0.116595D+01
               141           142           143           144           145 
      1   0.691171D+00  0.150124D+00  0.163280D+01 -0.124041D+00  0.184094D+01
      2   0.651892D+00  0.130328D+01  0.668563D+00  0.101559D+00 -0.428537D+01
      3   0.274622D+01 -0.741805D-01  0.301790D+01 -0.105092D+01  0.355573D+01
               146           147           148           149           150 
      1   0.324003D+01  0.210290D+00  0.182556D+01  0.837171D+01  0.308115D+01
      2  -0.420988D+01 -0.663112D+01 -0.250849D+01 -0.133458D+02 -0.131755D+02
      3   0.470402D+01  0.258050D+01  0.390059D+01  0.152150D+02  0.112994D+02
               151           152           153           154           155 
      1  -0.480886D+00  0.543218D+01  0.288024D+01  0.373885D+01 -0.628954D-01
      2  -0.358342D+01 -0.934630D+01 -0.143947D+02 -0.115742D+02 -0.265540D+01
      3  -0.511064D+00  0.833152D+01  0.880722D+01 -0.727087D+01 -0.187330D+02
               156           157           158           159           160 
      1  -0.669490D+01  0.608374D+01  0.476493D+01 -0.497373D+01 -0.434282D+01
      2   0.169704D+02 -0.223511D+01 -0.540369D+01  0.114395D+02  0.638868D+01
      3   0.588950D+00 -0.171084D+02 -0.261605D+02  0.192055D+01  0.354656D+01
               161           162           163           164           165 
      1   0.779689D+00  0.250995D+01  0.427471D+01  0.229525D+01 -0.333719D+01
      2   0.479082D+01 -0.102681D+02 -0.898640D+01 -0.573433D+01  0.159237D+01
      3   0.560507D+01 -0.340373D+01 -0.696376D+01 -0.414254D+01  0.227504D+01
               166           167           168           169           170 
      1   0.752085D+01  0.518037D+01  0.693698D+00 -0.125278D+01  0.609396D+01
      2  -0.941342D+01  0.471271D+01  0.828967D+01 -0.257525D+01  0.462009D+01
      3  -0.653632D+00 -0.614725D+01 -0.930216D+01  0.364293D+01 -0.221154D+01
               171           172           173           174           175 
      1  -0.455364D+01 -0.726807D+01 -0.333996D+01  0.120340D+01 -0.872597D+01
      2   0.211521D+02  0.179389D+02  0.448092D+01 -0.577113D+01  0.928669D+01
      3  -0.512274D+01  0.160416D+01  0.265614D+01  0.192965D+01  0.840271D+01
               176           177           178           179           180 
      1  -0.373963D+01 -0.111599D+01  0.907569D+00  0.389920D+00 -0.935140D+00
      2   0.395303D+01 -0.443741D+01 -0.300581D+01 -0.116612D+01  0.523434D+01
      3   0.173761D+01  0.841173D+00  0.169670D+01  0.103280D+01  0.500825D+00
               181           182           183           184           185 
      1   0.281954D+00  0.353087D+01  0.587793D+01  0.247056D+01  0.661572D+00
      2  -0.583163D+01  0.133916D+01  0.756816D+01 -0.387634D+01 -0.615354D+01
      3  -0.222320D+02  0.283312D+01 -0.160091D+01 -0.183595D+02 -0.696163D+01
               186           187           188           189           190 
      1  -0.254530D+01  0.103927D+02  0.448316D+01 -0.213225D+01 -0.117651D+01
      2  -0.316916D+01 -0.505872D+01 -0.916733D+01  0.257704D+01 -0.314399D+01
      3   0.422518D+01  0.623775D+01  0.412820D+01 -0.562533D+00  0.139310D+02
               191           192           193           194           195 
      1   0.263706D+01 -0.335576D+01  0.223875D+01  0.164288D+01  0.342407D+01
      2   0.552737D+01  0.206629D+01  0.987783D+01 -0.853231D+00 -0.102498D+01
      3   0.136271D+02 -0.433750D+01  0.351217D+02 -0.406458D+01 -0.478965D+00
               196           197           198           199           200 
      1  -0.517142D+00  0.131187D+02 -0.410623D+01 -0.734197D+00 -0.302865D+01
      2   0.134187D+01  0.161713D+01 -0.463234D+00 -0.348006D+01 -0.635379D+01
      3  -0.911663D+01 -0.350416D+00  0.442765D+01 -0.357781D+02 -0.257100D+02
               201           202           203           204           205 
      1   0.129625D+01 -0.225675D+01  0.168921D+01 -0.419100D+01 -0.719426D+01
      2   0.427555D+01 -0.367136D+01  0.840278D+01  0.345390D+01 -0.152123D+02
      3   0.726991D+01  0.124744D+02  0.740252D+01 -0.588048D+01  0.253123D+01
               206           207           208           209           210 
      1   0.319149D+01  0.907556D+00  0.106980D+01 -0.226605D+01  0.393853D+01
      2   0.155467D+02 -0.724139D+01  0.132464D+01 -0.657174D+01  0.140179D+02
      3  -0.685915D+01 -0.701813D+01 -0.568827D+01 -0.371220D+02  0.584279D+01
               211           212           213           214           215 
      1   0.331322D+00 -0.191782D+01 -0.511233D+01  0.124309D+01 -0.116616D+01
      2  -0.239521D+01 -0.323856D+01 -0.681741D+01 -0.599432D+01  0.314974D+01
      3  -0.228478D+01 -0.602527D+01  0.308783D+01  0.165762D+01  0.296347D+01
               216           217           218           219           220 
      1   0.128747D+01  0.706167D+00  0.935151D+00 -0.105642D+01 -0.988692D+00
      2   0.454728D-01  0.742822D+01  0.350541D+01 -0.162031D+01  0.413877D+01
      3  -0.360100D+01  0.349249D+02  0.236024D+01 -0.498593D+01  0.179313D+02
               221           222           223           224           225 
      1   0.275572D+01  0.669904D+01 -0.103933D+02  0.885367D+01 -0.434787D+01
      2   0.100762D+02  0.348584D+02 -0.170255D+02  0.260502D+02 -0.218357D+02
      3  -0.292753D+02 -0.115795D+02 -0.413444D+01 -0.915996D+01 -0.267078D+02
               226           227           228           229           230 
      1   0.145733D+00 -0.250498D+00 -0.148851D+01  0.446064D-01 -0.808291D+00
      2   0.214471D+01  0.177354D+01 -0.214178D+00  0.147580D+01  0.431167D+01
      3   0.802682D+01  0.562788D+01 -0.188708D+01  0.584766D+01  0.166587D+02
               231           232           233           234           235 
      1  -0.402120D+01  0.806942D+00  0.311310D+01  0.265439D+00 -0.873568D+00
      2  -0.123904D+01 -0.780103D+00 -0.128719D+01  0.180787D+00 -0.198862D+01
      3  -0.428160D+01 -0.205741D+01 -0.480643D+01  0.739717D+00 -0.355676D+01
               236           237           238           239           240 
      1   0.735389D+00  0.150149D+01 -0.288760D+00 -0.566411D+00 -0.289014D+01
      2  -0.306230D-01  0.150355D+01 -0.122566D+01  0.169772D+01 -0.309004D+01
      3  -0.386238D+01  0.768717D+00 -0.431782D+01  0.127240D+02 -0.170972D+01
               241           242           243           244           245 
      1  -0.252349D+01  0.146223D+01  0.451568D+00  0.103092D+00 -0.157196D+00
      2  -0.252439D+01 -0.304832D+00  0.114627D+01 -0.123939D+01 -0.954623D+00
      3   0.232496D+01 -0.275173D+01  0.139835D+01 -0.376510D+01 -0.381452D+01
               246           247           248           249           250 
      1  -0.151957D+01  0.176733D+00 -0.289538D+00 -0.356239D+01 -0.150105D+00
      2   0.220522D+01 -0.141983D+01 -0.406796D+01  0.429444D+01 -0.153522D+01
      3   0.837851D+00 -0.235312D+01 -0.169673D+02  0.383533D+01  0.145980D+01
               251           252           253           254           255 
      1   0.206377D+01  0.491170D+00  0.129953D+00 -0.170370D+00 -0.113689D+01
      2   0.562195D+00 -0.887517D+00 -0.619694D+01 -0.389008D+00 -0.226244D+01
      3   0.464924D+01 -0.567016D+00  0.327936D+01  0.271560D+01  0.144757D+01
               256           257           258           259           260 
      1   0.106282D+01 -0.159695D+01 -0.487460D+01  0.217749D+01 -0.123081D+01
      2   0.433972D+01 -0.144065D+02 -0.163840D+02  0.735557D+01 -0.166945D+02
      3  -0.102713D+02  0.329750D+02  0.160270D+02 -0.575195D+01  0.184212D+02
               261           262           263           264           265 
      1  -0.464530D+01  0.388446D+00 -0.258961D+00 -0.359973D+00 -0.583515D+00
      2  -0.171304D+02  0.861545D+01 -0.183511D+01  0.514532D+00 -0.486769D+01
      3   0.174286D+02  0.816948D+00  0.701932D+00  0.692726D+00 -0.646316D+01
               266           267           268           269           270 
      1   0.863018D+00 -0.312336D+01  0.367547D+01  0.709393D-01  0.791684D+01
      2   0.831927D+01 -0.134515D+02  0.141080D+02 -0.154017D+02  0.394524D+02
      3   0.136394D+02 -0.874905D+01  0.619767D+01 -0.119913D+02  0.157064D+02
               271           272           273           274           275 
      1  -0.102500D+01 -0.429040D+00  0.522010D+00 -0.240034D+00 -0.527157D+00
      2  -0.662431D+01 -0.825742D+00  0.951522D+01 -0.198421D+01 -0.222627D+01
      3  -0.212273D+02 -0.106013D+02  0.185843D+01 -0.125163D+02 -0.849568D+01
               276           277           278           279 
      1  -0.695288D+00  0.169245D+01  0.233191D+00 -0.336349D-02
      2   0.232038D+01  0.920950D+01 -0.803739D+00 -0.134227D+01
      3   0.265510D+01  0.267906D+01  0.325492D+01  0.423887D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.907903D+02  0.558125D+02 -0.945927D+01 -0.809112D+02 -0.146386D+01
      2   0.504680D+02 -0.372022D+02  0.665126D+01  0.460065D+02  0.349562D+01
      3   0.403223D+02 -0.186103D+02  0.280801D+01  0.349047D+02 -0.203176D+01
      4   0.552586D+02 -0.447252D+01 -0.200226D+01 -0.673816D+01 -0.440032D+01
      5  -0.185697D+02 -0.229800D+00  0.561556D+00 -0.291427D+01  0.368482D+01
      6   0.425706D+00  0.261497D+01  0.111101D+01  0.225610D+01 -0.316105D+01
                 6             7             8             9            10 
      1   0.258053D+01  0.247869D+02 -0.556860D+01 -0.103189D+02  0.100339D+03
      2  -0.393440D+01 -0.126625D+02  0.269862D+01 -0.738803D+00 -0.475988D+02
      3   0.135386D+01 -0.121244D+02  0.286998D+01  0.110577D+02 -0.527402D+02
      4   0.213822D+01 -0.149873D+01  0.140890D+01  0.698115D+00 -0.172272D+02
      5   0.764506D+00  0.254099D+01 -0.212342D+01  0.439711D+00  0.751004D+01
      6   0.673383D+00  0.165281D+01  0.381275D+01  0.177561D+01 -0.655977D+01
                11            12            13            14            15 
      1  -0.591225D+01 -0.579338D+01  0.832642D+02 -0.359953D+02  0.191125D+01
      2   0.194584D+01  0.289744D+01 -0.408983D+02  0.302674D+02 -0.642645D+01
      3   0.396642D+01  0.289593D+01 -0.423658D+02  0.572791D+01  0.451520D+01
      4   0.659829D+01 -0.277354D+01 -0.188738D+02  0.145580D+02 -0.213647D+01
      5  -0.770947D+01 -0.832337D+01  0.889910D+01 -0.289814D+01  0.270346D-01
      6   0.270476D+01  0.141965D+01 -0.238388D+01 -0.398926D+01 -0.127361D+01
                16            17            18            19            20 
      1  -0.270252D+02  0.711671D+01 -0.880536D+01  0.567203D+02 -0.609659D+02
      2   0.141327D+02 -0.585754D+01  0.444685D+00 -0.339960D+02  0.460766D+02
      3   0.128925D+02 -0.125917D+01  0.836068D+01 -0.227243D+02  0.148893D+02
      4   0.620480D+01 -0.251143D+01  0.353108D+01 -0.500895D+02  0.199172D+01
      5  -0.280029D+01  0.355953D+01  0.106131D+01  0.206866D+02 -0.597603D-01
      6   0.419466D+01  0.555194D+01  0.197224D+01 -0.375891D+00 -0.294534D+01
                21            22            23            24            25 
      1   0.112561D+02  0.510581D+01  0.337284D+02 -0.797657D+01 -0.440102D+01
      2  -0.891929D+01 -0.131539D+02 -0.342660D+02  0.916218D+01  0.609687D+01
      3  -0.233676D+01  0.804807D+01  0.537532D+00 -0.118562D+01 -0.169585D+01
      4   0.117401D+01  0.206944D+02 -0.564002D+01  0.382904D+01 -0.265969D+01
      5  -0.413936D+01 -0.980360D+01  0.570596D+01  0.576109D+01  0.402907D+01
      6   0.134177D+01  0.805243D+01  0.909935D+01  0.133426D+01  0.115244D+01
                26            27            28            29            30 
      1  -0.388222D+01 -0.594933D+01 -0.195812D+01  0.597156D+01  0.793556D+00
      2   0.792238D+01 -0.849443D+01 -0.115348D+02 -0.836650D+01  0.376208D+00
      3  -0.404016D+01  0.144438D+02  0.134930D+02  0.239494D+01 -0.116976D+01
      4   0.634445D+01  0.228376D+01  0.141949D+02  0.115894D+02 -0.308788D+00
      5   0.853569D+01 -0.271963D+01 -0.186735D+02  0.271094D+01  0.914741D+01
      6   0.385015D+01  0.113100D+01  0.906492D+01  0.161491D+00 -0.292114D+01
                31            32            33            34            35 
      1   0.237701D+02 -0.756974D+02  0.145407D+02 -0.724454D+01  0.168542D+02
      2  -0.177264D+02  0.714734D+02 -0.184900D+02  0.359740D+01 -0.173007D+02
      3  -0.604371D+01  0.422406D+01  0.394930D+01  0.364713D+01  0.446462D+00
      4  -0.402053D+02 -0.680643D-01  0.343696D+01  0.185588D+02  0.175534D+01
      5   0.154950D+02  0.257472D+01 -0.168675D+01  0.280309D+02 -0.572118D+01
      6   0.197811D+01 -0.111440D+02 -0.910996D-01 -0.576157D+01  0.722680D+01
                36            37            38            39            40 
      1  -0.332457D+01 -0.693240D+01  0.745993D+02 -0.175496D+02 -0.208066D+02
      2  -0.333314D+01 -0.510044D+00 -0.620199D+02  0.884992D+01  0.214289D+02
      3   0.665771D+01  0.744245D+01 -0.125794D+02  0.869968D+01 -0.622318D+00
      4   0.181207D+01  0.658609D+01 -0.177559D+02  0.310535D+01  0.136106D+02
      5  -0.522550D+00 -0.338628D+00 -0.834322D+00  0.605118D+01  0.544948D+01
      6   0.460892D+01 -0.300270D+01  0.620211D+01 -0.158661D+02 -0.133128D+02
                41            42            43            44            45 
      1   0.377595D+02 -0.125280D+02  0.696424D+01 -0.179953D+02 -0.101191D+02
      2  -0.387979D+02  0.109671D+02 -0.141009D+02  0.203078D+02  0.310864D+00
      3   0.103839D+01  0.156090D+01  0.713661D+01 -0.231249D+01  0.980825D+01
      4   0.968196D+01 -0.784124D+01  0.251132D+01 -0.653898D+01 -0.832812D+01
      5  -0.902200D+01 -0.491098D+01  0.204109D+02 -0.606041D+01  0.441028D+01
      6   0.117502D+02  0.249624D+01 -0.194031D+02  0.120872D+02  0.108669D+01
                46            47            48            49            50 
      1   0.105984D+02 -0.554453D+02  0.106499D+02  0.166953D+02  0.263183D+01
      2  -0.772949D+01  0.478000D+02 -0.414124D+01 -0.147366D+02 -0.851994D+01
      3  -0.286895D+01  0.764533D+01 -0.650871D+01 -0.195861D+01  0.588811D+01
      4   0.487292D+01 -0.647128D+01  0.224485D+01  0.215928D+01 -0.976663D+01
      5  -0.311894D+00  0.617222D+01 -0.289288D+01  0.421315D+00  0.209199D+01
      6   0.429670D+01 -0.169102D+01  0.120465D+02  0.398140D+01  0.147400D+02
                51            52            53            54            55 
      1  -0.800946D+01 -0.584222D+01 -0.470008D+01 -0.231905D+02  0.383060D-01
      2   0.108831D+02  0.767770D+01  0.152751D+02  0.891779D+01 -0.255900D+01
      3  -0.287368D+01 -0.183548D+01 -0.105750D+02  0.142727D+02  0.252069D+01
      4   0.487616D+01  0.168837D+01  0.702679D+01  0.501972D+01 -0.396549D+02
      5   0.452230D+00  0.491722D+01  0.495645D+00  0.174642D+00  0.764724D+01
      6   0.531112D+01  0.424155D+01  0.219425D+02 -0.854813D+01  0.353277D+01
                56            57            58            59            60 
      1  -0.574365D+02  0.115828D+02  0.201251D+01  0.246063D+02 -0.116235D+02
      2   0.380552D+02 -0.280530D+01 -0.499826D+01 -0.208684D+02  0.108740D+02
      3   0.193813D+02 -0.877753D+01  0.298575D+01 -0.373787D+01  0.749518D+00
      4  -0.283559D+02  0.631869D+01  0.317939D+02 -0.158127D+02 -0.236763D+00
      5   0.755780D+01 -0.146235D+02 -0.857253D+01  0.173498D+00 -0.105212D+01
      6  -0.573377D+00  0.979824D+01  0.265552D+01  0.117274D+02  0.356457D+01
                61            62            63            64            65 
      1  -0.178113D+01 -0.845668D+01 -0.206452D+02  0.220962D+01 -0.716716D+00
      2   0.309347D+01  0.152152D+02  0.278361D+01 -0.235676D+00  0.163333D+01
      3  -0.131234D+01 -0.675855D+01  0.178616D+02 -0.197395D+01 -0.916611D+00
      4  -0.579861D+01  0.211832D+01 -0.916575D+01  0.735487D+01  0.928936D+01
      5   0.623937D+00 -0.107311D+02  0.889055D+01 -0.174041D+01 -0.228150D+01
      6   0.131618D+01  0.154783D+02 -0.555399D+01 -0.149378D+01 -0.115451D+01
                66            67            68            69            70 
      1   0.301932D+00 -0.385844D+01 -0.160144D+02  0.416595D+01  0.109360D+01
      2   0.415524D-01  0.526545D+01  0.176422D+02 -0.181405D+01 -0.472077D+00
      3  -0.343485D+00 -0.140701D+01 -0.162774D+01 -0.235190D+01 -0.621526D+00
      4  -0.172888D+01  0.120117D+02  0.172645D+02 -0.361356D+01 -0.292297D+01
      5   0.279467D+01 -0.361654D+01 -0.383483D+01  0.380998D+01  0.193853D+01
      6   0.124438D+01 -0.283622D+01 -0.673989D+01  0.532202D+01  0.244828D+01
                71            72            73            74            75 
      1   0.302769D+01 -0.387441D+01  0.207709D+01  0.560383D+01 -0.101076D+01
      2  -0.247924D+01  0.268963D+01  0.101197D+02 -0.159675D+02  0.177080D+01
      3  -0.548451D+00  0.118479D+01 -0.121968D+02  0.103637D+02 -0.760042D+00
      4  -0.426307D+01  0.264131D+01 -0.283092D+02  0.251903D+02 -0.377065D+01
      5   0.108418D+01 -0.139119D+01  0.405481D+01 -0.388850D+01  0.405667D+01
      6   0.353534D+01 -0.269058D+01 -0.259924D+01  0.297246D+01 -0.377792D+01
                76            77            78            79            80 
      1   0.104333D+02 -0.216808D+02  0.374882D+01 -0.280300D+01  0.449791D+01
      2  -0.221478D+02  0.384419D+02 -0.473931D+01  0.576929D+01 -0.676126D+01
      3   0.117145D+02 -0.167611D+02  0.990497D+00 -0.296629D+01  0.226336D+01
      4   0.275655D+02 -0.346865D+02  0.551528D+01 -0.538532D+01  0.622914D+01
      5  -0.533925D+01  0.568008D+01 -0.441733D+01  0.701282D+00 -0.303316D+01
      6   0.595071D+01 -0.707405D+01  0.674979D+01  0.477175D+00  0.425982D+01
                81            82            83            84            85 
      1  -0.136702D+01 -0.648062D+01 -0.113428D+02  0.326578D+01 -0.878367D+01
      2   0.272239D+01  0.973562D+01  0.165596D+02 -0.332259D+01  0.116476D+02
      3  -0.135537D+01 -0.325500D+01 -0.521680D+01  0.568067D-01 -0.286395D+01
      4  -0.324850D+01  0.866336D+01  0.166429D+02 -0.372894D+01  0.987544D+01
      5   0.170258D+01 -0.145248D+01 -0.246717D+01  0.271142D+01 -0.165966D+01
      6  -0.254126D+01 -0.317194D+01 -0.495145D+01  0.370641D+01 -0.342241D+01
                86            87            88            89            90 
      1  -0.491761D+02  0.120277D+02  0.286821D+01  0.129891D+02 -0.413139D+01
      2   0.674048D+02 -0.131066D+02 -0.389832D+01 -0.163294D+02  0.479654D+01
      3  -0.182287D+02  0.107894D+01  0.103011D+01  0.334028D+01 -0.665148D+00
      4   0.220816D+02 -0.472692D+01 -0.321208D+01 -0.548083D+01  0.300347D+01
      5  -0.227781D+01  0.186099D+01  0.884903D+00  0.255785D+01 -0.147155D+01
      6  -0.173647D+02  0.111687D+02  0.677898D+00  0.672806D+01 -0.420776D+01
                91            92            93            94            95 
      1   0.875356D+00  0.579026D+01 -0.140347D+02  0.937260D+00 -0.100198D+02
      2   0.342634D+01 -0.531377D+00  0.776709D+00  0.605012D+01 -0.264929D+01
      3  -0.430169D+01 -0.525888D+01  0.132580D+02 -0.698737D+01  0.126691D+02
      4  -0.408825D+01 -0.195842D+02 -0.295548D+01 -0.234719D+02  0.291944D+02
      5  -0.285156D+00 -0.485025D+01 -0.207577D+02  0.888336D+00 -0.187705D+02
      6  -0.340751D+01  0.683883D+00  0.728372D+00 -0.422698D+01  0.371474D+01
                96            97            98            99           100 
      1  -0.145549D+01  0.864507D+00 -0.261602D+01 -0.186214D+02 -0.770408D+02
      2   0.178338D+01 -0.157683D+02  0.764926D+01  0.185346D+02  0.443072D+02
      3  -0.327892D+00  0.149038D+02 -0.503323D+01  0.868425D-01  0.327336D+02
      4  -0.215614D+02 -0.490625D+01 -0.222429D+02 -0.396549D+01  0.268199D+01
      5  -0.443813D+01 -0.599140D+02  0.239487D+01  0.192503D+02  0.406783D+02
      6   0.312691D+01  0.248629D+01 -0.167941D+01 -0.173858D+01  0.700250D-01
               101           102           103           104           105 
      1  -0.137006D+01  0.292555D+02 -0.894534D+01  0.349789D+02  0.675904D+01
      2   0.423692D+00 -0.825683D+01  0.232114D+01 -0.761840D+01 -0.205426D+01
      3   0.946368D+00 -0.209987D+02  0.662420D+01 -0.273605D+02 -0.470478D+01
      4   0.210222D+02  0.898564D+00  0.197905D+02 -0.281530D+01  0.267280D+02
      5   0.273036D+01  0.992798D+01  0.457071D+01  0.173669D+02  0.472680D+01
      6  -0.128049D+02 -0.156120D+01 -0.768569D+01 -0.265290D+01 -0.212731D+02
               106           107           108           109           110 
      1   0.673350D+01  0.508682D+01  0.182832D+02 -0.550068D+02 -0.220850D+02
      2   0.144986D+02 -0.393808D+01 -0.226524D+02  0.177109D+02  0.855874D+00
      3  -0.212321D+02 -0.114875D+01  0.436924D+01  0.372959D+02  0.212292D+02
      4  -0.635205D+00  0.232409D+02  0.242732D+01 -0.394434D+02 -0.238851D+02
      5   0.380776D+02 -0.106615D+00 -0.305731D+02  0.103895D+02  0.214077D+01
      6  -0.266530D+01 -0.158648D+02 -0.416778D+01  0.158567D+01  0.362105D+01
               111           112           113           114           115 
      1   0.694281D+01 -0.300866D+02 -0.144154D+02  0.104757D+02  0.310597D+02
      2  -0.368729D+01  0.569715D+01  0.175171D+01 -0.193866D-01 -0.109771D+02
      3  -0.325552D+01  0.243895D+02  0.126637D+02 -0.104563D+02 -0.200827D+02
      4   0.552740D+01 -0.142905D+02 -0.227176D+02  0.129146D+02  0.167701D+02
      5   0.519886D+00  0.123160D+01  0.966508D+01 -0.355014D+01  0.166932D+02
      6  -0.388146D+01  0.435104D+01 -0.160361D+01 -0.778378D+00  0.207695D+01
               116           117           118           119           120 
      1   0.704288D+01  0.169079D+02  0.153131D+02 -0.124877D+02  0.691405D+01
      2  -0.261959D+00 -0.135111D+01 -0.177769D+01  0.233726D+01 -0.200784D+01
      3  -0.678092D+01 -0.155568D+02 -0.135354D+02  0.101504D+02 -0.490621D+01
      4   0.192013D+02  0.331445D+01 -0.247156D+02  0.233684D+02 -0.271257D+01
      5   0.153478D+01  0.254577D+01  0.911673D+01 -0.211716D+01  0.111183D+02
      6  -0.104842D+01 -0.211808D+01 -0.224417D+01  0.124110D+01 -0.112326D+01
               121           122           123           124           125 
      1  -0.194592D+02  0.442525D+01 -0.119646D+01  0.891595D+01  0.212101D+00
      2   0.506401D+01  0.118511D+02 -0.273002D+01 -0.323808D+01 -0.352676D+01
      3   0.143952D+02 -0.162764D+02  0.392647D+01 -0.567787D+01  0.331466D+01
      4   0.241944D+02 -0.447823D+02  0.112030D+02 -0.449680D+01  0.144901D+02
      5  -0.306393D+01  0.101978D+02 -0.109834D+02  0.139739D+02 -0.941904D+01
      6   0.131767D+01 -0.371735D+01  0.440077D+01 -0.263195D+01  0.631576D+01
               126           127           128           129           130 
      1   0.431872D+01 -0.100715D+01  0.838814D+01 -0.114186D+02  0.114344D+02
      2  -0.197260D+01 -0.536644D+00 -0.338920D+01  0.436265D+00 -0.694406D+01
      3  -0.234612D+01  0.154380D+01 -0.499894D+01  0.109823D+02 -0.449039D+01
      4  -0.101820D+02  0.428983D+01 -0.626571D+01  0.264198D+01 -0.617368D+00
      5   0.658430D+01 -0.170505D+01 -0.476266D+00 -0.499580D+01 -0.822851D+01
      6  -0.341010D+01 -0.399201D+01  0.592063D+01 -0.295329D+01  0.175492D+01
               131           132           133           134           135 
      1  -0.176252D+02  0.110518D+02 -0.574698D+01  0.719759D+01 -0.144086D+02
      2   0.578963D+01  0.321462D+01  0.176804D+01  0.175998D+01 -0.235123D+01
      3   0.118356D+02 -0.142665D+02  0.397894D+01 -0.895757D+01  0.167599D+02
      4   0.232566D+02 -0.150943D+02 -0.113019D+00 -0.111614D+02  0.944767D+01
      5  -0.106541D+02  0.160540D+02  0.276025D+01  0.714728D+01 -0.109256D+02
      6  -0.171129D+02  0.138338D+02 -0.302291D+00  0.113034D+02 -0.864723D+01
               136           137           138           139           140 
      1   0.113501D+03 -0.126450D+01 -0.209465D+02  0.239157D+01  0.587550D+01
      2  -0.681192D+02  0.486797D+00  0.192597D+02 -0.251725D+01 -0.417775D+01
      3  -0.453813D+02  0.777702D+00  0.168683D+01  0.125680D+00 -0.169776D+01
      4  -0.629356D+01  0.110915D+02  0.234826D+01  0.138846D+02  0.201008D+00
      5  -0.651965D+02  0.167297D+01  0.302850D+02 -0.233850D+01 -0.714833D+01
      6   0.273521D+01 -0.383621D+01 -0.154548D+01 -0.415874D+01 -0.367748D-01
               141           142           143           144           145 
      1  -0.938171D+00 -0.999486D+01 -0.142731D+01  0.986317D+01  0.111797D+00
      2   0.139332D+01  0.102390D+02  0.553144D+00 -0.803478D+01 -0.107376D+01
      3  -0.455149D+00 -0.244127D+00  0.874166D+00 -0.182839D+01  0.961963D+00
      4  -0.592673D+01 -0.807873D+00 -0.404306D+01  0.407428D-01 -0.410209D+01
      5   0.154707D+01  0.196820D+02  0.870967D+00 -0.930158D+01 -0.400613D+01
      6   0.432317D+01 -0.177979D-03  0.307500D+01  0.449971D+00  0.446143D+01
               146           147           148           149           150 
      1  -0.996570D+01 -0.136744D+02 -0.854900D+01 -0.217695D+02 -0.164420D+02
      2   0.423933D+01  0.209156D+01  0.575072D+01  0.101906D+02  0.253885D+00
      3   0.572637D+01  0.115829D+02  0.279828D+01  0.115789D+02  0.161881D+02
      4  -0.504951D+01 -0.251474D+01  0.285674D+01 -0.272027D+02 -0.214675D+02
      5   0.282013D-01 -0.418817D+01  0.809174D+01 -0.168202D+02 -0.214456D+02
      6   0.676693D+01  0.497796D+01  0.152633D+00  0.229479D+02  0.207728D+02
               151           152           153           154           155 
      1  -0.518780D+01 -0.119895D+02 -0.211805D+02  0.140579D+03  0.377576D+02
      2   0.236733D+01 -0.299447D+00 -0.240089D+01 -0.584573D+02 -0.897085D+01
      3   0.282048D+01  0.122890D+02  0.235814D+02 -0.821216D+02 -0.287868D+02
      4   0.274061D+01 -0.154611D+02 -0.155823D+02  0.683765D+02  0.449794D+02
      5   0.395719D+01 -0.136261D+02 -0.205766D+02  0.154752D+01  0.211810D+01
      6  -0.400471D+00  0.160593D+02  0.171099D+02 -0.212191D+01 -0.719709D+00
               156           157           158           159           160 
      1  -0.102190D+02  0.458776D+02  0.308244D+02 -0.537136D+01 -0.118171D+02
      2   0.139343D+01 -0.595349D+01  0.535532D+01 -0.152222D+01  0.216787D+01
      3   0.882555D+01 -0.399241D+02 -0.361797D+02  0.689358D+01  0.964922D+01
      4  -0.222063D+01  0.653326D+02  0.608568D+02 -0.877737D+01 -0.797312D+01
      5   0.264818D+02 -0.213837D+01 -0.393925D+01  0.157954D+02  0.291588D+02
      6   0.680355D+01  0.555442D+00  0.633765D+00  0.808059D+01  0.901061D+01
               161           162           163           164           165 
      1  -0.331539D+01  0.169609D+02  0.306647D+02  0.138053D+02  0.103080D+02
      2  -0.230210D+01 -0.804907D+01 -0.180709D+02 -0.388214D+01 -0.766569D+01
      3   0.561748D+01 -0.891185D+01 -0.125938D+02 -0.992314D+01 -0.264231D+01
      4  -0.122952D+02  0.153384D+02  0.247366D+02  0.139547D+02  0.178813D+01
      5   0.136191D+02 -0.123196D+02  0.198733D+02  0.304477D+01  0.152952D+02
      6   0.747492D+01 -0.235060D+01  0.101475D+02  0.184650D+01  0.535402D+00
               166           167           168           169           170 
      1   0.180303D+02 -0.450054D+01 -0.104163D+02 -0.652085D+01 -0.805977D+01
      2  -0.806914D+01  0.407275D+01  0.322557D+01 -0.172054D+01  0.177448D+01
      3  -0.996115D+01  0.427796D+00  0.719074D+01  0.824139D+01  0.628530D+01
      4   0.163499D+02  0.103951D+02  0.114904D+02 -0.282961D+01  0.186260D+01
      5   0.106785D+02  0.132584D+02  0.115987D+02  0.145859D+02  0.696100D+01
      6   0.361164D+01  0.914114D+01  0.128290D+02  0.130335D+01  0.102988D+02
               171           172           173           174           175 
      1  -0.256261D+02 -0.341382D+02 -0.847442D+01  0.908635D+01 -0.188814D+02
      2  -0.139191D+02  0.159894D+02  0.264086D+01  0.172888D+01  0.102050D+02
      3   0.395452D+02  0.181488D+02  0.583357D+01 -0.108152D+02  0.867636D+01
      4   0.509509D+01 -0.218255D+02 -0.100652D+02 -0.848806D+00 -0.146345D+02
      5   0.425810D+02 -0.129010D+02 -0.440668D+01 -0.101437D+02 -0.965346D+01
      6   0.127319D+02 -0.723278D+01 -0.450251D+01 -0.291274D+01 -0.479897D+01
               176           177           178           179           180 
      1  -0.974051D+01  0.326491D+01  0.183033D+01  0.127497D+01 -0.936543D+01
      2   0.459664D+01  0.251148D+01  0.381612D+01  0.268058D+00  0.161018D+01
      3   0.514387D+01 -0.577639D+01 -0.564645D+01 -0.154302D+01  0.775525D+01
      4  -0.636452D+01  0.945564D+00 -0.437258D+01 -0.395428D+00 -0.431033D+01
      5  -0.490765D+00 -0.840192D+01 -0.474491D+01 -0.194346D+01  0.240033D+01
      6  -0.300441D+01  0.117695D+01 -0.254333D+01  0.138298D+01 -0.176292D+01
               181           182           183           184           185 
      1   0.316212D+01  0.635835D+02 -0.142166D+02 -0.734437D+02  0.352906D+02
      2  -0.363957D+01 -0.425756D+02  0.368523D+01  0.481420D+02 -0.272231D+02
      3   0.477443D+00 -0.210079D+02  0.105313D+02  0.253016D+02 -0.806757D+01
      4   0.359072D+02  0.328418D+02 -0.830982D+01  0.349207D+02  0.223745D+02
      5  -0.463576D+01 -0.104832D+02  0.186171D+02 -0.101470D+01 -0.140711D+02
      6  -0.278210D+01  0.475471D+01 -0.120844D+02 -0.105310D+02  0.929090D+01
               186           187           188           189           190 
      1  -0.515153D+01  0.195094D+02 -0.141180D+02  0.239000D+01  0.153890D+03
      2   0.502680D+01 -0.206804D+02  0.138146D+02 -0.851054D+01 -0.869124D+02
      3   0.124723D+00  0.117102D+01  0.303366D+00  0.612054D+01 -0.669777D+02
      4  -0.137738D+02 -0.611128D+01 -0.153160D+02 -0.112573D+02 -0.212520D+02
      5  -0.729378D+01  0.271264D+02 -0.127741D+02  0.838138D+01  0.869050D+01
      6   0.411391D+01 -0.132284D+02  0.874319D+01  0.165028D+01  0.270611D+01
               191           192           193           194           195 
      1  -0.452152D+02  0.335151D+01  0.586321D+00 -0.288862D+02  0.128163D+02
      2   0.287204D+02 -0.138436D+01 -0.480875D+01  0.288492D+02 -0.149186D+02
      3   0.164948D+02 -0.196715D+01  0.422243D+01  0.369167D-01  0.210234D+01
      4   0.331045D+02 -0.447102D+01 -0.272004D+02 -0.592070D+02  0.145431D+02
      5  -0.569257D+01  0.980250D+01  0.169581D+02  0.150263D+02 -0.530609D+01
      6   0.411095D+00  0.590224D+01  0.566173D+01 -0.988473D+01 -0.261312D+01
               196           197           198           199           200 
      1  -0.336282D+01  0.148797D+02  0.216043D+02 -0.117340D+03  0.135167D+02
      2   0.341336D+01 -0.119912D+02 -0.196405D+02  0.574021D+02 -0.493548D+01
      3  -0.505356D-01 -0.288856D+01 -0.196381D+01  0.599381D+02 -0.858122D+01
      4   0.199625D+02  0.939601D+01 -0.626488D+01  0.158524D+02 -0.350024D+02
      5   0.469937D+02 -0.125185D+02  0.192423D+01 -0.460689D+01  0.145994D+02
      6  -0.117877D+01  0.736062D+01  0.408860D+01  0.652711D+01 -0.181002D+01
               201           202           203           204           205 
      1   0.331457D+01  0.931472D+02 -0.170578D+02 -0.435244D+01 -0.150524D+02
      2  -0.228138D+01 -0.592386D+02  0.114353D+01  0.639431D+01  0.124914D+02
      3  -0.103319D+01 -0.339087D+02  0.159142D+02 -0.204187D+01  0.256096D+01
      4   0.103623D+02 -0.125024D+02  0.279791D+02  0.390870D+01  0.571358D+01
      5   0.862576D+00  0.444452D+01  0.285859D+01  0.109061D+02  0.533461D+01
      6  -0.377400D+00  0.601875D+01  0.115528D+02  0.488832D+01  0.213064D+01
               206           207           208           209           210 
      1   0.169777D+01 -0.157906D+02 -0.107094D+02  0.393293D+02 -0.582201D+01
      2   0.672494D+01 -0.241824D+01  0.441454D+01 -0.241488D+02  0.232017D+01
      3  -0.842271D+01  0.182088D+02  0.629489D+01 -0.151806D+02  0.350183D+01
      4   0.100812D+02  0.226402D+02  0.292622D+02  0.256175D+01  0.350508D+01
      5   0.239042D+02 -0.143226D+02 -0.798193D+01  0.409499D+01  0.235256D+02
      6   0.123369D+02 -0.140894D+01  0.440085D+00 -0.116041D+01 -0.695401D+01
               211           212           213           214           215 
      1   0.651052D+01  0.930907D+01 -0.367206D+01  0.546708D+00 -0.387575D+01
      2  -0.520339D+00 -0.292998D+01  0.543490D+01  0.951960D+00  0.363795D+01
      3  -0.599018D+01 -0.637909D+01 -0.176284D+01 -0.149867D+01  0.237799D+00
      4   0.317539D+02  0.115641D+02 -0.601278D+01 -0.670346D+01 -0.500419D+00
      5  -0.752744D+01 -0.512222D+01 -0.124810D+02  0.102555D+02  0.456365D+01
      6  -0.130275D+01  0.200250D+01  0.814007D+01  0.225832D+01  0.250412D+01
               216           217           218           219           220 
      1   0.281674D+01 -0.811011D+02 -0.425133D+02  0.149565D+02 -0.540539D+02
      2  -0.188503D+01  0.477444D+02  0.212854D+02 -0.776008D+01  0.269735D+02
      3  -0.931712D+00  0.333568D+02  0.212279D+02 -0.719641D+01  0.270804D+02
      4   0.630685D+01 -0.406952D+02  0.114018D+02  0.242432D+01 -0.159940D+02
      5  -0.171557D+01  0.143655D+02  0.266379D+01 -0.743991D+01  0.740355D+01
      6  -0.296324D+01 -0.129859D+01 -0.999942D+00  0.182353D+01  0.225336D+01
               221           222           223           224           225 
      1   0.103224D+02  0.110419D+02  0.163370D+02  0.832696D+01  0.239096D+01
      2  -0.986016D+01 -0.130599D+02 -0.404349D+01 -0.104100D+02 -0.165736D+01
      3  -0.462206D+00  0.201798D+01 -0.122935D+02  0.208309D+01 -0.733605D+00
      4   0.316131D+02  0.227192D+02  0.544714D+01  0.166422D+02  0.427717D+02
      5   0.229802D+02  0.673744D+02 -0.249095D+02  0.465363D+02 -0.410378D+02
      6  -0.890319D+01 -0.191832D+02  0.103913D+02 -0.145655D+02  0.773572D+01
               226           227           228           229           230 
      1  -0.735467D+01 -0.159007D+02  0.452879D+01 -0.776194D+01 -0.446101D+02
      2   0.718897D+01  0.147319D+02 -0.301656D+01  0.735023D+01  0.505323D+02
      3   0.165704D+00  0.116878D+01 -0.151223D+01  0.411706D+00 -0.592221D+01
      4   0.250303D+00  0.518765D+01 -0.799074D+00  0.247570D+01 -0.960971D+01
      5   0.227554D+00 -0.529703D+00  0.110808D+01  0.610760D-01  0.381369D+01
      6  -0.235753D+01 -0.418176D+01  0.290377D+01 -0.206604D+01 -0.149818D+02
               231           232           233           234           235 
      1   0.112310D+02  0.266254D+01  0.121547D+02 -0.409125D+01  0.328209D+02
      2  -0.938601D+01 -0.229620D+01 -0.121968D+02  0.385370D+01 -0.106008D+02
      3  -0.184496D+01 -0.366334D+00  0.421259D-01  0.237558D+00 -0.222201D+02
      4   0.262849D+01 -0.511309D-02  0.270069D+01  0.103137D+01 -0.306311D+02
      5  -0.241502D+01  0.161356D+01 -0.282301D+00 -0.193906D+00  0.582103D+01
      6   0.924080D+01  0.662991D+00  0.571142D+01 -0.364268D+01 -0.212143D+01
               236           237           238           239           240 
      1  -0.130378D+02  0.134605D+01 -0.155909D+02  0.436737D+01 -0.869857D+00
      2   0.154756D+00 -0.237097D+00 -0.324100D+01  0.149458D+02 -0.808240D+00
      3   0.128830D+02 -0.110895D+01  0.188319D+02 -0.193132D+02  0.167810D+01
      4   0.250064D+02 -0.364510D+01  0.370942D+02 -0.424810D+02  0.672719D+01
      5  -0.473178D+01  0.373994D+01 -0.883929D+01  0.869533D+01 -0.619010D+01
      6   0.217052D+01 -0.211144D+01  0.539580D+01 -0.641944D+01  0.536372D+01
               241           242           243           244           245 
      1   0.150893D+01 -0.794603D+00 -0.131981D+01  0.521993D+01  0.862968D+01
      2   0.219574D+01 -0.254324D+01  0.159542D+01  0.238701D+01  0.587350D+00
      3  -0.370467D+01  0.333784D+01 -0.275614D+00 -0.760695D+01 -0.921702D+01
      4  -0.776782D+01  0.827295D+01 -0.321083D+01  0.245562D+02  0.227820D+02
      5   0.576380D-01 -0.289568D+01  0.203465D+01 -0.574749D+01 -0.482959D+01
      6  -0.276774D+00  0.274507D+01 -0.184996D+01 -0.289944D+01 -0.264533D+01
               246           247           248           249           250 
      1  -0.207133D+01  0.599461D+01 -0.842889D+01  0.198717D+01 -0.158745D+01
      2   0.735578D+00  0.624187D+01  0.233585D+02 -0.306297D+01 -0.394391D+00
      3   0.133575D+01 -0.122365D+02 -0.149296D+02  0.107580D+01  0.198184D+01
      4  -0.587637D+01  0.303859D+02  0.496935D+02 -0.118524D+02 -0.837716D+01
      5   0.518281D+01 -0.657688D+01 -0.100863D+02  0.830873D+01  0.427027D+01
      6   0.270590D+01 -0.457089D+01 -0.880889D+01  0.738611D+01  0.367724D+01
               251           252           253           254           255 
      1   0.137333D+01 -0.106235D+01  0.441887D+01 -0.742435D+01 -0.120850D+02
      2  -0.439229D+01  0.240192D+01 -0.128680D+01  0.410746D+01  0.596732D+01
      3   0.301896D+01 -0.133957D+01 -0.313207D+01  0.331689D+01  0.611772D+01
      4  -0.135945D+02  0.485942D+01 -0.454321D+01  0.648622D-01  0.205004D+01
      5   0.282477D+01 -0.293510D+01 -0.107887D+02  0.116334D+01 -0.306203D+01
      6   0.401449D+01 -0.351581D+01  0.311286D+01  0.778037D+00  0.197489D+01
               256           257           258           259           260 
      1  -0.173536D+02  0.755724D+00 -0.129809D+01 -0.271732D+02  0.130702D+01
      2   0.456522D+01  0.123166D+02  0.553147D+01  0.122083D+02  0.351445D+01
      3   0.127884D+02 -0.130723D+02 -0.423338D+01  0.149649D+02 -0.482147D+01
      4   0.317069D+02 -0.553053D+02 -0.297520D+02  0.196545D+02 -0.316526D+02
      5   0.140774D+02 -0.305478D+02 -0.322689D+02  0.226996D+02 -0.320150D+02
      6  -0.684829D+01  0.140932D+02  0.128530D+02 -0.815268D+01  0.136987D+02
               261           262           263           264           265 
      1  -0.130762D+01  0.128290D+02 -0.280349D+01  0.142532D+02 -0.566711D+01
      2  -0.685899D+00 -0.798854D+01  0.170998D+01 -0.644189D+01  0.189974D+01
      3   0.199352D+01 -0.484044D+01  0.109350D+01 -0.781129D+01  0.376737D+01
      4  -0.297829D+02 -0.245370D+01  0.270377D+00 -0.586671D+01  0.185647D+02
      5  -0.332638D+02  0.155186D+02 -0.507423D+01  0.461795D+01 -0.133364D+02
      6   0.125766D+02 -0.364496D+01  0.105090D+01  0.765874D-01  0.405457D+01
               266           267           268           269           270 
      1   0.311953D+01 -0.419886D+01  0.391326D+02 -0.788438D+01  0.766461D+01
      2   0.924035D+00  0.138152D+01 -0.244439D+02  0.435921D+01 -0.142111D+02
      3  -0.404356D+01  0.281734D+01 -0.146887D+02  0.352518D+01  0.654652D+01
      4  -0.214851D+02  0.157857D+02 -0.209342D+02  0.200177D+02 -0.258927D+02
      5   0.165450D+02 -0.267727D+02  0.415643D+02 -0.291838D+02  0.764806D+02
      6  -0.579878D+01  0.106484D+02 -0.935370D+01  0.109763D+02 -0.167015D+02
               271           272           273           274           275 
      1   0.200067D+03  0.189320D+02 -0.144323D+02  0.592825D+02  0.205790D+02
      2  -0.106054D+03 -0.110411D+02  0.825847D+01 -0.322972D+02 -0.104763D+02
      3  -0.940129D+02 -0.789094D+01  0.617388D+01 -0.269853D+02 -0.101027D+02
      4   0.154990D+02  0.157304D+02 -0.957729D+00  0.241886D+02  0.146491D+02
      5  -0.151557D+02 -0.113782D+01  0.182708D+02 -0.404707D+01 -0.463509D+01
      6   0.219969D+01  0.753304D-01 -0.103035D+01  0.173245D+00  0.601787D+00
               276           277           278           279 
      1  -0.470114D+01 -0.239605D+02 -0.295437D+01  0.185576D+02
      2   0.323184D+01  0.135241D+02  0.251618D+01 -0.110964D+02
      3   0.146930D+01  0.104365D+02  0.438194D+00 -0.746118D+01
      4  -0.458600D+01 -0.174083D+01 -0.533181D+01 -0.107172D+01
      5   0.462695D+01  0.261681D+02 -0.113737D+01 -0.356097D+01
      6   0.152610D+01 -0.124166D+01  0.244616D+01 -0.200450D+00
 Leave Link  716 at Fri Aug 13 02:40:55 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.296682D+03 -0.169815D+02 -0.796957D+01
      2  -0.169815D+02  0.177762D+03 -0.111021D+02
      3  -0.796957D+01 -0.111021D+02  0.124112D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.576881D+01  0.210916D+02 -0.299058D+01
      2  -0.174433D+01 -0.158693D+02 -0.245765D+02
      3   0.129615D+03 -0.569543D+02  0.194564D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.364860D+03 -0.185782D+03  0.169588D+02
      2  -0.180828D+03  0.146716D+03 -0.506850D+02
      3  -0.184032D+03  0.390654D+02  0.337262D+02
      4  -0.109125D+03  0.101245D+03 -0.434899D+02
      5   0.801010D+02 -0.527285D+02 -0.488686D+02
      6  -0.174926D+02  0.163040D+02 -0.313538D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.401138D+02  0.119287D+02 -0.653978D+00 -0.389266D+02  0.819170D+01
      2   0.119287D+02 -0.766535D+01  0.107935D+01  0.819170D+01 -0.644024D+01
      3  -0.653978D+00  0.107935D+01 -0.131345D+00  0.424482D-01  0.942152D+00
                 6             7             8             9            10 
      1   0.424482D-01  0.121113D+02 -0.309335D+01 -0.105393D+01  0.379910D+02
      2   0.942152D+00 -0.309335D+01  0.168223D+01 -0.111290D+01 -0.116703D+02
      3   0.939434D-01 -0.105393D+01 -0.111290D+01  0.569500D+00  0.468084D+00
                11            12            13            14            15 
      1  -0.116703D+02  0.468084D+00  0.423722D+02 -0.933372D+01  0.129694D+00
      2   0.384006D+01 -0.221682D+00 -0.933372D+01  0.881492D+01 -0.145020D+01
      3  -0.221682D+00 -0.130720D+00  0.129694D+00 -0.145020D+01 -0.798907D-01
                16            17            18            19            20 
      1  -0.125355D+02  0.323661D+01  0.741475D+00  0.398365D+02 -0.117937D+02
      2   0.323661D+01 -0.195024D+01  0.123562D+01 -0.117937D+02  0.110598D+02
      3   0.741475D+00  0.123562D+01 -0.366082D+00  0.728983D+00 -0.210737D+01
                21            22            23            24            25 
      1   0.728983D+00 -0.200594D+02  0.409047D+01 -0.378063D+00  0.302085D+01
      2  -0.210737D+01  0.409047D+01 -0.756290D+01  0.387539D+00 -0.793913D+00
      3   0.540877D+00 -0.378063D+00  0.387539D+00 -0.165436D+01 -0.457712D+00
                26            27            28            29            30 
      1  -0.793913D+00 -0.457712D+00 -0.440023D+02  0.661356D+01  0.507453D+00
      2  -0.451767D+00 -0.283307D+01  0.661356D+01 -0.437717D+01  0.710016D-01
      3  -0.283307D+01  0.209925D+01  0.507453D+00  0.710016D-01 -0.205393D+01
                31            32            33            34            35 
      1   0.101092D+02 -0.314428D+01 -0.966503D+00 -0.379313D+01 -0.601030D+00
      2  -0.314428D+01  0.167707D+02 -0.374071D+01 -0.601030D+00 -0.307086D+01
      3  -0.966503D+00 -0.374071D+01  0.743821D+00 -0.573164D+01  0.166048D+01
                36            37            38            39            40 
      1  -0.573164D+01 -0.541317D+01 -0.198868D+01  0.421115D+00  0.803180D+01
      2   0.166048D+01 -0.198868D+01 -0.135602D+02  0.288959D+01 -0.177392D+01
      3   0.182266D+00  0.421115D+00  0.288959D+01 -0.333137D+01 -0.932099D+00
                41            42            43            44            45 
      1  -0.177392D+01 -0.932099D+00 -0.177299D+01 -0.803757D+00 -0.507184D+01
      2  -0.669303D+01  0.273077D+01 -0.803757D+00  0.382329D+01  0.193251D+01
      3   0.273077D+01  0.723387D+00 -0.507184D+01  0.193251D+01 -0.740418D+00
                46            47            48            49            50 
      1   0.118698D+02  0.983299D+00 -0.489082D+00 -0.135743D+00 -0.290637D+01
      2   0.983299D+00  0.975759D+01 -0.154102D+01 -0.290637D+01  0.516302D+00
      3  -0.489082D+00 -0.154102D+01  0.264778D+01  0.105549D+01  0.156176D+01
                51            52            53            54            55 
      1   0.105549D+01 -0.362928D+00  0.114355D+01  0.922833D+00 -0.631014D+01
      2   0.156176D+01  0.114355D+01  0.154833D+01  0.378957D+01 -0.252288D+01
      3   0.104305D+01  0.922833D+00  0.378957D+01 -0.266720D+01  0.817658D+00
                56            57            58            59            60 
      1  -0.252288D+01  0.817658D+00 -0.464174D+00  0.335957D+01 -0.115969D+01
      2  -0.520263D+01  0.596287D+00  0.335957D+01 -0.269658D+01 -0.854029D+00
      3   0.596287D+00 -0.251123D+01 -0.115969D+01 -0.854029D+00 -0.969968D+00
                61            62            63            64            65 
      1   0.314450D+00 -0.119333D+01 -0.545817D+00 -0.161771D+01 -0.231590D+01
      2  -0.119333D+01 -0.972010D+00 -0.348529D+01 -0.231590D+01 -0.111005D+01
      3  -0.545817D+00 -0.348529D+01  0.253419D+01  0.549874D+00  0.283986D+00
                66            67            68            69            70 
      1   0.549874D+00 -0.303753D+01 -0.278562D+01  0.835105D+00  0.766090D+00
      2   0.283986D+00 -0.278562D+01 -0.537650D+01  0.129687D+01  0.822146D+00
      3  -0.409980D+00  0.835105D+00  0.129687D+01 -0.110527D+01 -0.368760D+00
                71            72            73            74            75 
      1   0.822146D+00 -0.368760D+00 -0.568560D+01  0.356358D+01 -0.462292D+00
      2   0.134665D+01 -0.526392D+00  0.356358D+01 -0.362410D+01  0.561644D+00
      3  -0.526392D+00  0.363223D+00 -0.462292D+00  0.561644D+00 -0.492433D+00
                76            77            78            79            80 
      1   0.378262D+01 -0.464892D+01  0.993370D+00 -0.595004D+00  0.108675D+01
      2  -0.464892D+01  0.658111D+01 -0.102403D+01  0.108675D+01 -0.126146D+01
      3   0.993370D+00 -0.102403D+01  0.863551D+00  0.250994D+00  0.518096D+00
                81            82            83            84            85 
      1   0.250994D+00  0.133425D+01  0.189192D+01 -0.520755D+00  0.736652D+00
      2   0.518096D+00  0.189192D+01  0.280886D+01 -0.727228D+00  0.196051D+01
      3  -0.333686D+00 -0.520755D+00 -0.727228D+00  0.466890D+00 -0.477723D+00
                86            87            88            89            90 
      1   0.196051D+01 -0.477723D+00 -0.314649D+00 -0.586620D+00  0.143342D+00
      2   0.979211D+01 -0.224764D+01 -0.586620D+00 -0.265310D+01  0.673382D+00
      3  -0.224764D+01  0.137284D+01  0.143342D+00  0.673382D+00 -0.405123D+00
                91            92            93            94            95 
      1   0.132491D+02 -0.189996D+01  0.363407D+00  0.419008D+01  0.157584D+01
      2  -0.189996D+01  0.171700D+01  0.815082D+00  0.157584D+01 -0.242893D+01
      3   0.363407D+00  0.815082D+00  0.289535D+01  0.608784D+00  0.256285D+01
                96            97            98            99           100 
      1   0.608784D+00 -0.370368D+01  0.139097D+01  0.761938D+01  0.896410D+01
      2   0.256285D+01  0.139097D+01  0.217185D+01 -0.103562D+00  0.327946D+00
      3   0.109805D+01  0.761938D+01 -0.103562D+00 -0.210623D+01 -0.192957D+01
               101           102           103           104           105 
      1   0.327946D+00 -0.192957D+01 -0.176958D+00 -0.207577D+01 -0.235782D+00
      2  -0.191087D+01 -0.391200D+00 -0.207577D+01 -0.620978D-01 -0.388843D+01
      3  -0.391200D+00 -0.229875D+01 -0.235782D+00 -0.388843D+01 -0.932860D+00
               106           107           108           109           110 
      1   0.562471D+01 -0.738829D+00 -0.523625D+01  0.416143D+01  0.326209D+01
      2  -0.738829D+00 -0.276196D+01 -0.285491D+00  0.326209D+01  0.119656D+01
      3  -0.523625D+01 -0.285491D+00  0.310758D+01 -0.181565D+01 -0.715701D+00
               111           112           113           114           115 
      1  -0.181565D+01  0.393191D+00  0.142977D+01 -0.136956D+01 -0.593499D+01
      2  -0.715701D+00  0.142977D+01  0.324764D+00 -0.127408D+01 -0.156855D+01
      3  -0.109264D+01 -0.136956D+01 -0.127408D+01 -0.745272D+00 -0.302792D+01
               116           117           118           119           120 
      1  -0.156855D+01 -0.302792D+01 -0.159593D+01  0.239774D+01 -0.101130D+01
      2  -0.185644D+01 -0.533434D-01  0.239774D+01 -0.200165D+01  0.156514D+00
      3  -0.533434D-01  0.171449D-01 -0.101130D+01  0.156514D+00 -0.128250D+01
               121           122           123           124           125 
      1   0.448169D+01 -0.229170D+01  0.284761D+00 -0.159915D+01  0.215093D+00
      2  -0.229170D+01  0.517380D+01 -0.131527D+01  0.215093D+00 -0.156692D+01
      3   0.284761D+00 -0.131527D+01  0.141509D+01 -0.162923D+01  0.116885D+01
               126           127           128           129           130 
      1  -0.162923D+01  0.177549D+00 -0.757921D+00  0.416025D+00 -0.196938D+01
      2   0.116885D+01 -0.757921D+00  0.921540D+00 -0.415133D+00  0.294575D+00
      3  -0.777433D+00  0.416025D+00 -0.415133D+00  0.147238D+01  0.351981D+00
               131           132           133           134           135 
      1   0.294575D+00  0.351981D+00  0.586040D+00 -0.171097D-01  0.255872D+00
      2  -0.335849D+01  0.218877D+01 -0.171097D-01  0.170764D+01 -0.141016D+01
      3   0.218877D+01 -0.270305D+01  0.255872D+00 -0.141016D+01  0.226903D+01
               136           137           138           139           140 
      1  -0.151146D+02  0.131648D+00  0.375799D+01 -0.623710D+00 -0.112250D+01
      2   0.131648D+00 -0.788320D+00 -0.198639D+00 -0.112250D+01 -0.764584D-01
      3   0.375799D+01 -0.198639D+00 -0.240874D+01  0.530168D-01  0.723532D+00
               141           142           143           144           145 
      1   0.530168D-01  0.160853D+01  0.162018D+00 -0.140042D+01 -0.342209D+00
      2   0.723532D+00  0.162018D+00  0.171380D+00 -0.114823D-01  0.873487D+00
      3  -0.100065D+00 -0.140042D+01 -0.114823D-01  0.513960D+00  0.743658D+00
               146           147           148           149           150 
      1   0.873487D+00  0.743658D+00  0.140218D+01  0.173226D+00 -0.370385D+00
      2   0.104431D+01  0.687952D+00  0.173226D+00  0.406162D+01  0.315283D+01
      3   0.687952D+00  0.151350D+01 -0.370385D+00  0.315283D+01  0.358373D+01
               151           152           153           154           155 
      1   0.213338D+00 -0.661137D-01  0.154589D+00 -0.147984D+02 -0.494968D+01
      2  -0.661137D-01  0.226717D+01  0.238740D+01 -0.494968D+01 -0.274995D+01
      3   0.154589D+00  0.238740D+01  0.378899D+01  0.112997D+01 -0.584957D-01
               156           157           158           159           160 
      1   0.112997D+01 -0.734967D+01 -0.572350D+01  0.721646D+00  0.147146D+01
      2  -0.584957D-01 -0.572350D+01 -0.488875D+01  0.678771D+00  0.649024D+00
      3  -0.209859D+01  0.721646D+00  0.678771D+00 -0.121584D+01 -0.237454D+01
               161           162           163           164           165 
      1   0.649024D+00 -0.237454D+01 -0.821162D+01 -0.302278D+01 -0.240312D+01
      2   0.123077D+01 -0.133833D+01 -0.302278D+01 -0.483725D+00  0.231191D-01
      3  -0.133833D+01  0.176910D+01 -0.240312D+01  0.231191D-01 -0.703863D+00
               166           167           168           169           170 
      1  -0.586261D+01 -0.122646D+01 -0.808655D+00  0.426882D+00  0.135721D+00
      2  -0.122646D+01 -0.117915D+01 -0.181851D+01  0.135721D+00 -0.333053D+00
      3  -0.808655D+00 -0.181851D+01 -0.199252D+01 -0.653192D+00 -0.145893D+01
               171           172           173           174           175 
      1  -0.653192D+00  0.777593D+01  0.254310D+01  0.599519D+00  0.660945D+01
      2  -0.145893D+01  0.254310D+01  0.917045D+00  0.391608D+00  0.140309D+01
      3  -0.654520D+01  0.599519D+00  0.391608D+00  0.202033D+01  0.100890D+01
               176           177           178           179           180 
      1   0.140309D+01  0.100890D+01  0.265546D+01  0.607987D+00  0.136704D+01
      2   0.563886D+00 -0.369416D+00  0.607987D+00 -0.948865D+00  0.641751D+00
      3  -0.369416D+00  0.137833D+01  0.136704D+01  0.641751D+00 -0.132120D+01
               181           182           183           184           185 
      1   0.534592D+01  0.227389D+01 -0.509403D+00 -0.131946D+02  0.438364D+01
      2   0.227389D+01  0.939248D+01 -0.203973D+01  0.438364D+01  0.323705D+01
      3  -0.509403D+00 -0.203973D+01  0.304430D+01  0.498682D+00 -0.219476D+01
               186           187           188           189           190 
      1   0.498682D+00  0.318287D+01 -0.391982D+00  0.379867D+01  0.408210D+02
      2  -0.219476D+01 -0.391982D+00 -0.287491D+01 -0.214124D+01 -0.910350D+01
      3  -0.120297D+01  0.379867D+01 -0.214124D+01  0.959854D+00  0.505831D+00
               191           192           193           194           195 
      1  -0.910350D+01  0.505831D+00 -0.523235D+01  0.288687D+01  0.136183D+01
      2   0.997842D+01 -0.934240D+00  0.288687D+01 -0.137753D+02  0.283049D+01
      3  -0.934240D+00  0.438887D+01  0.136183D+01  0.283049D+01 -0.881600D+00
               196           197           198           199           200 
      1  -0.356232D+00  0.145520D+01  0.664395D+01 -0.366369D+02  0.125243D+02
      2   0.145520D+01  0.205058D+01 -0.195662D+01  0.125243D+02 -0.921524D+01
      3   0.664395D+01 -0.195662D+01 -0.189077D+00 -0.748382D+00  0.172929D+01
               201           202           203           204           205 
      1  -0.748382D+00  0.199023D+02 -0.625191D+01  0.641373D+00 -0.227164D+01
      2   0.172929D+01 -0.625191D+01  0.811473D+01  0.149279D+00  0.119251D+01
      3  -0.641184D+00  0.641373D+00  0.149279D+00  0.238056D+01  0.399804D+00
               206           207           208           209           210 
      1   0.119251D+01  0.399804D+00 -0.121294D+02  0.576630D+01 -0.774215D+00
      2   0.905282D+00  0.402497D+01  0.576630D+01 -0.447052D+01  0.669891D+00
      3   0.402497D+01 -0.285000D+01 -0.774215D+00  0.669891D+00 -0.564691D+00
               211           212           213           214           215 
      1  -0.758476D+00  0.271226D+01 -0.700713D+00  0.944277D+00 -0.948863D+00
      2   0.271226D+01  0.962058D+00 -0.555934D+00 -0.948863D+00  0.336494D+00
      3  -0.700713D+00 -0.555934D+00 -0.113398D+01  0.203150D+00  0.639813D+00
               216           217           218           219           220 
      1   0.203150D+00 -0.166048D+01 -0.443287D+01  0.103487D+01 -0.495687D+01
      2   0.639813D+00 -0.443287D+01  0.190350D+01  0.194494D+00 -0.113589D+01
      3  -0.108117D-01  0.103487D+01  0.194494D+00 -0.774164D-01  0.519035D+00
               221           222           223           224           225 
      1  -0.113589D+01  0.519035D+00  0.102097D+01  0.423439D+00 -0.215818D+01
      2   0.246022D+01  0.216570D+01  0.423439D+00  0.166819D+01  0.406978D+01
      3   0.216570D+01  0.547514D+01 -0.215818D+01  0.406978D+01 -0.340156D+01
               226           227           228           229           230 
      1  -0.948605D+00 -0.165969D+01  0.461813D+00 -0.497859D+00 -0.135537D+01
      2  -0.165969D+01 -0.240727D+01  0.638805D+00 -0.135537D+01 -0.851630D+01
      3   0.461813D+00  0.638805D+00 -0.414510D+00  0.351252D+00  0.195273D+01
               231           232           233           234           235 
      1   0.351252D+00  0.218405D+00  0.497902D+00 -0.716100D-02  0.581165D+01
      2   0.195273D+01  0.497902D+00  0.225573D+01 -0.604863D+00 -0.318267D+01
      3  -0.127472D+01 -0.716100D-02 -0.604863D+00  0.390478D+00  0.389554D+00
               236           237           238           239           240 
      1  -0.318267D+01  0.389554D+00 -0.451277D+01  0.448077D+01 -0.945760D+00
      2   0.277222D+01 -0.406826D+00  0.448077D+01 -0.563762D+01  0.933689D+00
      3  -0.406826D+00  0.343228D+00 -0.945760D+00  0.933689D+00 -0.729024D+00
               241           242           243           244           245 
      1   0.723298D+00 -0.102568D+01 -0.232882D+00  0.202292D+01  0.289837D+01
      2  -0.102568D+01  0.118807D+01 -0.280750D+00  0.289837D+01  0.214585D+01
      3  -0.232882D+00 -0.280750D+00  0.251173D+00 -0.784772D+00 -0.594725D+00
               246           247           248           249           250 
      1  -0.784772D+00  0.341957D+01  0.355976D+01 -0.961423D+00 -0.965756D+00
      2  -0.594725D+00  0.355976D+01  0.695482D+01 -0.170323D+01 -0.102265D+01
      3   0.596168D+00 -0.961423D+00 -0.170323D+01  0.128097D+01  0.541310D+00
               251           252           253           254           255 
      1  -0.102265D+01  0.541310D+00 -0.292708D+00 -0.230545D+00 -0.910732D+00
      2  -0.190878D+01  0.489167D+00 -0.230545D+00 -0.517604D+00 -0.323044D-01
      3   0.489167D+00 -0.405800D+00 -0.910732D+00 -0.323044D-01 -0.507885D+00
               256           257           258           259           260 
      1  -0.205981D+01  0.234782D+01  0.117447D+01 -0.314629D+01  0.157783D+01
      2   0.234782D+01 -0.500804D+01 -0.284024D+01  0.157783D+01 -0.300764D+01
      3   0.117447D+01 -0.284024D+01 -0.282192D+01  0.185590D+01 -0.295276D+01
               261           262           263           264           265 
      1   0.185590D+01  0.452419D+00  0.187232D-01  0.128183D+01 -0.622324D+00
      2  -0.295276D+01  0.187232D-01 -0.319210D+00 -0.314361D+00  0.131073D+01
      3  -0.318009D+01  0.128183D+01 -0.314361D+00  0.425959D-01 -0.100312D+01
               266           267           268           269           270 
      1   0.131073D+01 -0.100312D+01  0.446817D+01 -0.159666D+01  0.322363D+01
      2  -0.179407D+01  0.141254D+01 -0.159666D+01  0.172720D+01 -0.251908D+01
      3   0.141254D+01 -0.221224D+01  0.322363D+01 -0.251908D+01  0.671220D+01
               271           272           273           274           275 
      1   0.150601D+02  0.153237D+01 -0.116439D+01  0.500989D+01  0.161535D+01
      2   0.153237D+01  0.948575D+00 -0.899528D-01  0.161535D+01  0.116633D+01
      3  -0.116439D+01 -0.899528D-01  0.117950D+01 -0.322360D+00 -0.393779D+00
               276           277           278           279 
      1  -0.322360D+00 -0.200515D+01 -0.148296D+00  0.182753D+01
      2  -0.393779D+00 -0.148296D+00 -0.462855D+00 -0.157116D+00
      3   0.303087D+00  0.182753D+01 -0.157116D+00 -0.228021D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.233871D+01  0.234100D+01 -0.854183D+00  0.193158D+01 -0.684468D+00
      2   0.210879D+01  0.869873D+01 -0.173916D+01  0.657629D+01 -0.695136D+01
      3  -0.161291D+02  0.411647D+02 -0.929780D+01  0.190045D+02 -0.278671D+02
                 6             7             8             9            10 
      1   0.156895D+00 -0.482196D+01  0.851226D+01 -0.172933D+01 -0.208195D+00
      2   0.219888D+01 -0.199167D+02  0.390277D+01 -0.827440D-01 -0.314225D+00
      3   0.583238D+01  0.126926D+01  0.292028D+01 -0.287873D+00  0.321997D+02
                11            12            13            14            15 
      1   0.348427D+01 -0.122747D+01  0.190657D-01  0.969515D+00  0.111331D+01
      2   0.956283D+01 -0.696453D+01  0.466001D+01 -0.615276D+01  0.898797D+00
      3   0.362792D+02 -0.959361D+01  0.681053D+02 -0.334653D+02  0.413717D+01
                16            17            18            19            20 
      1  -0.504405D+01  0.687682D+01 -0.199394D+01 -0.317892D+01 -0.443272D+00
      2  -0.212515D+02  0.367770D+01  0.769665D+00 -0.460946D+01 -0.718760D+01
      3  -0.131431D+02  0.464177D+01 -0.706996D+00  0.144506D+02 -0.375731D+02
                21            22            23            24            25 
      1   0.478381D+00 -0.425461D+00 -0.275742D+00 -0.143585D+01 -0.494587D+01
      2   0.128841D+01 -0.244332D+01  0.261113D+01  0.741520D+00 -0.179682D+02
      3   0.849786D+01 -0.796548D+01  0.649682D+01 -0.218419D+01  0.724896D+01
                26            27            28            29            30 
      1   0.289775D+01 -0.100484D+01 -0.754305D+00  0.121711D+01  0.519290D+00
      2   0.704502D+01 -0.171160D+01 -0.107818D+01  0.253643D+01  0.977367D+00
      3  -0.230339D+01 -0.125458D+01 -0.345330D+02  0.116308D+02 -0.120743D+01
                31            32            33            34            35 
      1   0.446262D+01  0.492472D+01  0.218521D+00  0.348151D+01  0.118482D+02
      2   0.312330D+01 -0.128614D+01  0.277284D+00 -0.127805D+02  0.135096D+01
      3   0.322762D+02 -0.109796D+02 -0.556894D+00 -0.404635D+01 -0.923055D+00
                36            37            38            39            40 
      1  -0.274696D+01  0.185164D+00  0.104251D+01  0.817487D+01  0.290062D+01
      2   0.627497D+00 -0.420594D+01  0.142548D+01  0.190990D+01 -0.209688D+01
      3  -0.342226D+01 -0.188250D+02  0.498476D+01 -0.155987D+01  0.810528D+01
                41            42            43            44            45 
      1  -0.389354D+00 -0.167365D+01  0.166017D+02  0.441003D+01 -0.179232D+01
      2  -0.261752D+01 -0.129715D+01 -0.780030D+01 -0.682271D+01  0.201661D+01
      3  -0.489973D-01 -0.121388D+01 -0.205394D+01 -0.564190D+00 -0.657767D+01
                46            47            48            49            50 
      1   0.159838D+00 -0.323877D+01 -0.677922D+01 -0.266366D+01 -0.548141D+00
      2   0.626757D+01 -0.763947D+01  0.159636D+01 -0.564085D+01  0.667309D+01
      3   0.364195D+02 -0.324363D+02  0.667162D+01 -0.649029D+01  0.247639D+02
                51            52            53            54            55 
      1  -0.364373D+01 -0.855909D+01 -0.419904D+01  0.416020D+01  0.808322D+00
      2  -0.141210D+01 -0.150384D+02 -0.158782D+00  0.201937D+01  0.730265D+01
      3  -0.415898D+01  0.397091D+01 -0.267499D+01  0.520626D+01  0.343523D+02
                56            57            58            59            60 
      1  -0.437465D+01 -0.509118D+01 -0.161777D+01  0.602516D+00 -0.258137D+01
      2  -0.898048D+01 -0.437497D+01 -0.656680D+01  0.591897D+01 -0.247760D+01
      3  -0.319928D+02  0.812131D+01 -0.555805D+01  0.309332D+02 -0.411886D+01
                61            62            63            64            65 
      1  -0.756698D+01 -0.193160D+01  0.201193D+01 -0.551025D+00 -0.538972D+00
      2  -0.201273D+02 -0.256923D+01  0.583853D+01  0.673269D+00  0.729305D+00
      3   0.588259D+01 -0.214325D+01  0.979795D+01  0.357235D+00 -0.253531D+00
                66            67            68            69            70 
      1  -0.131829D+01 -0.784960D+00 -0.158590D+01 -0.286649D+01 -0.872969D+00
      2   0.420478D+00  0.113066D+01 -0.498758D+00  0.179871D+01 -0.238431D+01
      3   0.234222D+00  0.335690D+01 -0.581932D+01  0.127333D+01  0.624944D-01
                71            72            73            74            75 
      1   0.263027D+01  0.161016D+00 -0.467161D+00  0.404631D+00  0.246406D+01
      2  -0.874329D+00  0.510213D-01 -0.163473D+01  0.195589D+00  0.182884D+01
      3   0.136389D+01  0.236506D+00 -0.102642D+02  0.165097D+01 -0.213591D+00
                76            77            78            79            80 
      1  -0.134044D+01  0.367095D+00 -0.372053D+01 -0.291667D+01  0.105872D+01
      2  -0.525037D+00  0.343633D+00 -0.251700D+01 -0.225050D+01 -0.247627D+00
      3   0.373619D+01  0.638149D+00  0.749575D+00  0.574428D+00 -0.143267D+00
                81            82            83            84            85 
      1   0.680393D+00  0.627503D+00  0.394472D+00 -0.186422D+01  0.647378D+00
      2   0.801175D+00  0.124280D+01  0.736440D+00  0.604667D+00  0.979071D+00
      3   0.113001D+01  0.605633D+01  0.314422D+01 -0.128336D+01  0.515469D+01
                86            87            88            89            90 
      1   0.124961D+01 -0.515664D+01  0.118457D+01  0.241204D+01  0.597963D+00
      2   0.112714D+01  0.983881D+00 -0.124476D+01  0.361534D+00 -0.614537D+00
      3   0.362788D+01 -0.145346D+01 -0.135358D+01 -0.183907D+01 -0.306229D+00
                91            92            93            94            95 
      1   0.277170D+01  0.114530D+01 -0.175361D+01  0.593283D+01  0.404531D+00
      2  -0.431018D+01 -0.185282D+01 -0.680186D+01 -0.196708D+01 -0.113139D+02
      3   0.114582D+02  0.222762D+01  0.203800D+01  0.236832D+02 -0.140077D+02
                96            97            98            99           100 
      1  -0.206223D+01 -0.200123D+01  0.565556D+01  0.105728D+01  0.357847D+01
      2  -0.197751D+01 -0.336575D+02  0.794924D+00  0.576598D+01 -0.112378D+02
      3   0.109676D+02 -0.138856D+01  0.139885D+02  0.742072D+01  0.518430D+01
               101           102           103           104           105 
      1  -0.690414D+01  0.918371D+00 -0.274704D+01  0.447816D+00 -0.128402D+02
      2  -0.688150D+00  0.177767D+02 -0.257342D+01  0.207270D+02  0.376305D+01
      3  -0.150671D+02 -0.344829D+00 -0.871592D+01  0.124791D+01 -0.174769D+02
               106           107           108           109           110 
      1   0.332906D+01 -0.675136D+01 -0.395567D+01 -0.307997D+01  0.235626D+01
      2   0.181934D+02  0.326090D+00 -0.641394D+01  0.112248D+02  0.674783D+01
      3   0.722297D+01 -0.162436D+02 -0.578971D+01 -0.864938D+01  0.493971D+01
               111           112           113           114           115 
      1   0.995139D+01 -0.875440D+01 -0.790162D+01 -0.571429D+01  0.915271D+01
      2   0.495988D+01  0.700492D+01  0.524569D+01 -0.789485D+01  0.514363D+01
      3  -0.891837D+01  0.572369D+01  0.162369D+02 -0.456722D+01 -0.131510D+02
               116           117           118           119           120 
      1   0.188548D+01  0.537966D+01  0.147140D+01 -0.105995D+01  0.115123D+01
      2  -0.257252D+01  0.448875D+01  0.430879D+01 -0.163151D+01  0.565243D+01
      3  -0.925362D+01 -0.381188D+01  0.926396D+01 -0.724498D+01  0.209538D+00
               121           122           123           124           125 
      1  -0.130312D+01  0.186942D+01 -0.293363D+01  0.963186D+00 -0.321796D+00
      2  -0.175784D+01  0.595176D+01 -0.557777D+01  0.360402D+01 -0.423330D+01
      3  -0.135736D+01  0.187550D+02 -0.517345D+01 -0.868711D+00 -0.644696D+01
               126           127           128           129           130 
      1   0.952513D+00 -0.273279D+01  0.332569D+01 -0.111262D+01  0.154631D+01
      2   0.314451D+01 -0.421701D+01  0.401486D+01 -0.599883D+01  0.382082D+01
      3   0.302318D+01 -0.522590D+01  0.452610D+01 -0.227274D+01  0.401965D+01
               131           132           133           134           135 
      1  -0.938688D+01  0.359607D+01 -0.666075D+00  0.537997D+01 -0.319776D+01
      2  -0.104920D+02  0.997269D+01 -0.328860D+01  0.567627D+01 -0.903321D+01
      3  -0.140908D+02  0.929350D+01 -0.554910D+00  0.634708D+01 -0.567473D+01
               136           137           138           139           140 
      1  -0.257103D+01 -0.256163D+01  0.742498D+00 -0.248722D+01 -0.998824D+00
      2   0.103903D+02  0.718466D+00  0.719430D+01  0.754668D+00 -0.106381D+01
      3  -0.728112D+01 -0.610588D+01  0.119579D+01 -0.407323D+01 -0.116595D+01
               141           142           143           144           145 
      1   0.691171D+00  0.150124D+00  0.163280D+01 -0.124041D+00  0.184094D+01
      2   0.651892D+00  0.130328D+01  0.668563D+00  0.101559D+00 -0.428537D+01
      3   0.274622D+01 -0.741805D-01  0.301790D+01 -0.105092D+01  0.355573D+01
               146           147           148           149           150 
      1   0.324003D+01  0.210290D+00  0.182556D+01  0.837171D+01  0.308115D+01
      2  -0.420988D+01 -0.663112D+01 -0.250849D+01 -0.133458D+02 -0.131755D+02
      3   0.470402D+01  0.258050D+01  0.390059D+01  0.152150D+02  0.112994D+02
               151           152           153           154           155 
      1  -0.480886D+00  0.543218D+01  0.288024D+01  0.373885D+01 -0.628954D-01
      2  -0.358342D+01 -0.934630D+01 -0.143947D+02 -0.115742D+02 -0.265540D+01
      3  -0.511064D+00  0.833152D+01  0.880722D+01 -0.727087D+01 -0.187330D+02
               156           157           158           159           160 
      1  -0.669490D+01  0.608374D+01  0.476493D+01 -0.497373D+01 -0.434282D+01
      2   0.169704D+02 -0.223511D+01 -0.540369D+01  0.114395D+02  0.638868D+01
      3   0.588950D+00 -0.171084D+02 -0.261605D+02  0.192055D+01  0.354656D+01
               161           162           163           164           165 
      1   0.779689D+00  0.250995D+01  0.427471D+01  0.229525D+01 -0.333719D+01
      2   0.479082D+01 -0.102681D+02 -0.898640D+01 -0.573433D+01  0.159237D+01
      3   0.560507D+01 -0.340373D+01 -0.696376D+01 -0.414254D+01  0.227504D+01
               166           167           168           169           170 
      1   0.752085D+01  0.518037D+01  0.693698D+00 -0.125278D+01  0.609396D+01
      2  -0.941342D+01  0.471271D+01  0.828967D+01 -0.257525D+01  0.462009D+01
      3  -0.653632D+00 -0.614725D+01 -0.930216D+01  0.364293D+01 -0.221154D+01
               171           172           173           174           175 
      1  -0.455364D+01 -0.726807D+01 -0.333996D+01  0.120340D+01 -0.872597D+01
      2   0.211521D+02  0.179389D+02  0.448092D+01 -0.577113D+01  0.928669D+01
      3  -0.512274D+01  0.160416D+01  0.265614D+01  0.192965D+01  0.840271D+01
               176           177           178           179           180 
      1  -0.373963D+01 -0.111599D+01  0.907569D+00  0.389920D+00 -0.935140D+00
      2   0.395303D+01 -0.443741D+01 -0.300581D+01 -0.116612D+01  0.523434D+01
      3   0.173761D+01  0.841173D+00  0.169670D+01  0.103280D+01  0.500825D+00
               181           182           183           184           185 
      1   0.281954D+00  0.353087D+01  0.587793D+01  0.247056D+01  0.661572D+00
      2  -0.583163D+01  0.133916D+01  0.756816D+01 -0.387634D+01 -0.615354D+01
      3  -0.222320D+02  0.283312D+01 -0.160091D+01 -0.183595D+02 -0.696163D+01
               186           187           188           189           190 
      1  -0.254530D+01  0.103927D+02  0.448316D+01 -0.213225D+01 -0.117651D+01
      2  -0.316916D+01 -0.505872D+01 -0.916733D+01  0.257704D+01 -0.314399D+01
      3   0.422518D+01  0.623775D+01  0.412820D+01 -0.562533D+00  0.139310D+02
               191           192           193           194           195 
      1   0.263706D+01 -0.335576D+01  0.223875D+01  0.164288D+01  0.342407D+01
      2   0.552737D+01  0.206629D+01  0.987783D+01 -0.853231D+00 -0.102498D+01
      3   0.136271D+02 -0.433750D+01  0.351217D+02 -0.406458D+01 -0.478965D+00
               196           197           198           199           200 
      1  -0.517142D+00  0.131187D+02 -0.410623D+01 -0.734197D+00 -0.302865D+01
      2   0.134187D+01  0.161713D+01 -0.463234D+00 -0.348006D+01 -0.635379D+01
      3  -0.911663D+01 -0.350416D+00  0.442765D+01 -0.357781D+02 -0.257100D+02
               201           202           203           204           205 
      1   0.129625D+01 -0.225675D+01  0.168921D+01 -0.419100D+01 -0.719426D+01
      2   0.427555D+01 -0.367136D+01  0.840278D+01  0.345390D+01 -0.152123D+02
      3   0.726991D+01  0.124744D+02  0.740252D+01 -0.588048D+01  0.253123D+01
               206           207           208           209           210 
      1   0.319149D+01  0.907556D+00  0.106980D+01 -0.226605D+01  0.393853D+01
      2   0.155467D+02 -0.724139D+01  0.132464D+01 -0.657174D+01  0.140179D+02
      3  -0.685915D+01 -0.701813D+01 -0.568827D+01 -0.371220D+02  0.584279D+01
               211           212           213           214           215 
      1   0.331322D+00 -0.191782D+01 -0.511233D+01  0.124309D+01 -0.116616D+01
      2  -0.239521D+01 -0.323856D+01 -0.681741D+01 -0.599432D+01  0.314974D+01
      3  -0.228478D+01 -0.602527D+01  0.308783D+01  0.165762D+01  0.296347D+01
               216           217           218           219           220 
      1   0.128747D+01  0.706167D+00  0.935151D+00 -0.105642D+01 -0.988692D+00
      2   0.454728D-01  0.742822D+01  0.350541D+01 -0.162031D+01  0.413877D+01
      3  -0.360100D+01  0.349249D+02  0.236024D+01 -0.498593D+01  0.179313D+02
               221           222           223           224           225 
      1   0.275572D+01  0.669904D+01 -0.103933D+02  0.885367D+01 -0.434787D+01
      2   0.100762D+02  0.348584D+02 -0.170255D+02  0.260502D+02 -0.218357D+02
      3  -0.292753D+02 -0.115795D+02 -0.413444D+01 -0.915996D+01 -0.267078D+02
               226           227           228           229           230 
      1   0.145733D+00 -0.250498D+00 -0.148851D+01  0.446064D-01 -0.808291D+00
      2   0.214471D+01  0.177354D+01 -0.214178D+00  0.147580D+01  0.431167D+01
      3   0.802682D+01  0.562788D+01 -0.188708D+01  0.584766D+01  0.166587D+02
               231           232           233           234           235 
      1  -0.402120D+01  0.806942D+00  0.311310D+01  0.265439D+00 -0.873568D+00
      2  -0.123904D+01 -0.780103D+00 -0.128719D+01  0.180787D+00 -0.198862D+01
      3  -0.428160D+01 -0.205741D+01 -0.480643D+01  0.739717D+00 -0.355676D+01
               236           237           238           239           240 
      1   0.735389D+00  0.150149D+01 -0.288760D+00 -0.566411D+00 -0.289014D+01
      2  -0.306230D-01  0.150355D+01 -0.122566D+01  0.169772D+01 -0.309004D+01
      3  -0.386238D+01  0.768717D+00 -0.431782D+01  0.127240D+02 -0.170972D+01
               241           242           243           244           245 
      1  -0.252349D+01  0.146223D+01  0.451568D+00  0.103092D+00 -0.157196D+00
      2  -0.252439D+01 -0.304832D+00  0.114627D+01 -0.123939D+01 -0.954623D+00
      3   0.232496D+01 -0.275173D+01  0.139835D+01 -0.376510D+01 -0.381452D+01
               246           247           248           249           250 
      1  -0.151957D+01  0.176733D+00 -0.289538D+00 -0.356239D+01 -0.150105D+00
      2   0.220522D+01 -0.141983D+01 -0.406796D+01  0.429444D+01 -0.153522D+01
      3   0.837851D+00 -0.235312D+01 -0.169673D+02  0.383533D+01  0.145980D+01
               251           252           253           254           255 
      1   0.206377D+01  0.491170D+00  0.129953D+00 -0.170370D+00 -0.113689D+01
      2   0.562195D+00 -0.887517D+00 -0.619694D+01 -0.389008D+00 -0.226244D+01
      3   0.464924D+01 -0.567016D+00  0.327936D+01  0.271560D+01  0.144757D+01
               256           257           258           259           260 
      1   0.106282D+01 -0.159695D+01 -0.487460D+01  0.217749D+01 -0.123081D+01
      2   0.433972D+01 -0.144065D+02 -0.163840D+02  0.735557D+01 -0.166945D+02
      3  -0.102713D+02  0.329750D+02  0.160270D+02 -0.575195D+01  0.184212D+02
               261           262           263           264           265 
      1  -0.464530D+01  0.388446D+00 -0.258961D+00 -0.359973D+00 -0.583515D+00
      2  -0.171304D+02  0.861545D+01 -0.183511D+01  0.514532D+00 -0.486769D+01
      3   0.174286D+02  0.816948D+00  0.701932D+00  0.692726D+00 -0.646316D+01
               266           267           268           269           270 
      1   0.863018D+00 -0.312336D+01  0.367547D+01  0.709393D-01  0.791684D+01
      2   0.831927D+01 -0.134515D+02  0.141080D+02 -0.154017D+02  0.394524D+02
      3   0.136394D+02 -0.874905D+01  0.619767D+01 -0.119913D+02  0.157064D+02
               271           272           273           274           275 
      1  -0.102500D+01 -0.429040D+00  0.522010D+00 -0.240034D+00 -0.527157D+00
      2  -0.662431D+01 -0.825742D+00  0.951522D+01 -0.198421D+01 -0.222627D+01
      3  -0.212273D+02 -0.106013D+02  0.185843D+01 -0.125163D+02 -0.849568D+01
               276           277           278           279 
      1  -0.695288D+00  0.169245D+01  0.233191D+00 -0.336349D-02
      2   0.232038D+01  0.920950D+01 -0.803739D+00 -0.134227D+01
      3   0.265510D+01  0.267906D+01  0.325492D+01  0.423887D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.907903D+02  0.558125D+02 -0.945927D+01 -0.809112D+02 -0.146386D+01
      2   0.504680D+02 -0.372022D+02  0.665126D+01  0.460065D+02  0.349562D+01
      3   0.403223D+02 -0.186103D+02  0.280801D+01  0.349047D+02 -0.203176D+01
      4   0.552586D+02 -0.447252D+01 -0.200226D+01 -0.673816D+01 -0.440032D+01
      5  -0.185697D+02 -0.229800D+00  0.561556D+00 -0.291427D+01  0.368482D+01
      6   0.425706D+00  0.261497D+01  0.111101D+01  0.225610D+01 -0.316105D+01
                 6             7             8             9            10 
      1   0.258053D+01  0.247869D+02 -0.556860D+01 -0.103189D+02  0.100339D+03
      2  -0.393440D+01 -0.126625D+02  0.269862D+01 -0.738803D+00 -0.475988D+02
      3   0.135386D+01 -0.121244D+02  0.286998D+01  0.110577D+02 -0.527402D+02
      4   0.213822D+01 -0.149873D+01  0.140890D+01  0.698115D+00 -0.172272D+02
      5   0.764506D+00  0.254099D+01 -0.212342D+01  0.439711D+00  0.751004D+01
      6   0.673383D+00  0.165281D+01  0.381275D+01  0.177561D+01 -0.655977D+01
                11            12            13            14            15 
      1  -0.591225D+01 -0.579338D+01  0.832642D+02 -0.359953D+02  0.191125D+01
      2   0.194584D+01  0.289744D+01 -0.408983D+02  0.302674D+02 -0.642645D+01
      3   0.396642D+01  0.289593D+01 -0.423658D+02  0.572791D+01  0.451520D+01
      4   0.659829D+01 -0.277354D+01 -0.188738D+02  0.145580D+02 -0.213647D+01
      5  -0.770947D+01 -0.832337D+01  0.889910D+01 -0.289814D+01  0.270346D-01
      6   0.270476D+01  0.141965D+01 -0.238388D+01 -0.398926D+01 -0.127361D+01
                16            17            18            19            20 
      1  -0.270252D+02  0.711671D+01 -0.880536D+01  0.567203D+02 -0.609659D+02
      2   0.141327D+02 -0.585754D+01  0.444685D+00 -0.339960D+02  0.460766D+02
      3   0.128925D+02 -0.125917D+01  0.836068D+01 -0.227243D+02  0.148893D+02
      4   0.620480D+01 -0.251143D+01  0.353108D+01 -0.500895D+02  0.199172D+01
      5  -0.280029D+01  0.355953D+01  0.106131D+01  0.206866D+02 -0.597603D-01
      6   0.419466D+01  0.555194D+01  0.197224D+01 -0.375891D+00 -0.294534D+01
                21            22            23            24            25 
      1   0.112561D+02  0.510581D+01  0.337284D+02 -0.797657D+01 -0.440102D+01
      2  -0.891929D+01 -0.131539D+02 -0.342660D+02  0.916218D+01  0.609687D+01
      3  -0.233676D+01  0.804807D+01  0.537532D+00 -0.118562D+01 -0.169585D+01
      4   0.117401D+01  0.206944D+02 -0.564002D+01  0.382904D+01 -0.265969D+01
      5  -0.413936D+01 -0.980360D+01  0.570596D+01  0.576109D+01  0.402907D+01
      6   0.134177D+01  0.805243D+01  0.909935D+01  0.133426D+01  0.115244D+01
                26            27            28            29            30 
      1  -0.388222D+01 -0.594933D+01 -0.195812D+01  0.597156D+01  0.793556D+00
      2   0.792238D+01 -0.849443D+01 -0.115348D+02 -0.836650D+01  0.376208D+00
      3  -0.404016D+01  0.144438D+02  0.134930D+02  0.239494D+01 -0.116976D+01
      4   0.634445D+01  0.228376D+01  0.141949D+02  0.115894D+02 -0.308788D+00
      5   0.853569D+01 -0.271963D+01 -0.186735D+02  0.271094D+01  0.914741D+01
      6   0.385015D+01  0.113100D+01  0.906492D+01  0.161491D+00 -0.292114D+01
                31            32            33            34            35 
      1   0.237701D+02 -0.756974D+02  0.145407D+02 -0.724454D+01  0.168542D+02
      2  -0.177264D+02  0.714734D+02 -0.184900D+02  0.359740D+01 -0.173007D+02
      3  -0.604371D+01  0.422406D+01  0.394930D+01  0.364713D+01  0.446462D+00
      4  -0.402053D+02 -0.680643D-01  0.343696D+01  0.185588D+02  0.175534D+01
      5   0.154950D+02  0.257472D+01 -0.168675D+01  0.280309D+02 -0.572118D+01
      6   0.197811D+01 -0.111440D+02 -0.910996D-01 -0.576157D+01  0.722680D+01
                36            37            38            39            40 
      1  -0.332457D+01 -0.693240D+01  0.745993D+02 -0.175496D+02 -0.208066D+02
      2  -0.333314D+01 -0.510044D+00 -0.620199D+02  0.884992D+01  0.214289D+02
      3   0.665771D+01  0.744245D+01 -0.125794D+02  0.869968D+01 -0.622318D+00
      4   0.181207D+01  0.658609D+01 -0.177559D+02  0.310535D+01  0.136106D+02
      5  -0.522550D+00 -0.338628D+00 -0.834322D+00  0.605118D+01  0.544948D+01
      6   0.460892D+01 -0.300270D+01  0.620211D+01 -0.158661D+02 -0.133128D+02
                41            42            43            44            45 
      1   0.377595D+02 -0.125280D+02  0.696424D+01 -0.179953D+02 -0.101191D+02
      2  -0.387979D+02  0.109671D+02 -0.141009D+02  0.203078D+02  0.310864D+00
      3   0.103839D+01  0.156090D+01  0.713661D+01 -0.231249D+01  0.980825D+01
      4   0.968196D+01 -0.784124D+01  0.251132D+01 -0.653898D+01 -0.832812D+01
      5  -0.902200D+01 -0.491098D+01  0.204109D+02 -0.606041D+01  0.441028D+01
      6   0.117502D+02  0.249624D+01 -0.194031D+02  0.120872D+02  0.108669D+01
                46            47            48            49            50 
      1   0.105984D+02 -0.554453D+02  0.106499D+02  0.166953D+02  0.263183D+01
      2  -0.772949D+01  0.478000D+02 -0.414124D+01 -0.147366D+02 -0.851994D+01
      3  -0.286895D+01  0.764533D+01 -0.650871D+01 -0.195861D+01  0.588811D+01
      4   0.487292D+01 -0.647128D+01  0.224485D+01  0.215928D+01 -0.976663D+01
      5  -0.311894D+00  0.617222D+01 -0.289288D+01  0.421315D+00  0.209199D+01
      6   0.429670D+01 -0.169102D+01  0.120465D+02  0.398140D+01  0.147400D+02
                51            52            53            54            55 
      1  -0.800946D+01 -0.584222D+01 -0.470008D+01 -0.231905D+02  0.383060D-01
      2   0.108831D+02  0.767770D+01  0.152751D+02  0.891779D+01 -0.255900D+01
      3  -0.287368D+01 -0.183548D+01 -0.105750D+02  0.142727D+02  0.252069D+01
      4   0.487616D+01  0.168837D+01  0.702679D+01  0.501972D+01 -0.396549D+02
      5   0.452230D+00  0.491722D+01  0.495645D+00  0.174642D+00  0.764724D+01
      6   0.531112D+01  0.424155D+01  0.219425D+02 -0.854813D+01  0.353277D+01
                56            57            58            59            60 
      1  -0.574365D+02  0.115828D+02  0.201251D+01  0.246063D+02 -0.116235D+02
      2   0.380552D+02 -0.280530D+01 -0.499826D+01 -0.208684D+02  0.108740D+02
      3   0.193813D+02 -0.877753D+01  0.298575D+01 -0.373787D+01  0.749518D+00
      4  -0.283559D+02  0.631869D+01  0.317939D+02 -0.158127D+02 -0.236763D+00
      5   0.755780D+01 -0.146235D+02 -0.857253D+01  0.173498D+00 -0.105212D+01
      6  -0.573377D+00  0.979824D+01  0.265552D+01  0.117274D+02  0.356457D+01
                61            62            63            64            65 
      1  -0.178113D+01 -0.845668D+01 -0.206452D+02  0.220962D+01 -0.716716D+00
      2   0.309347D+01  0.152152D+02  0.278361D+01 -0.235676D+00  0.163333D+01
      3  -0.131234D+01 -0.675855D+01  0.178616D+02 -0.197395D+01 -0.916611D+00
      4  -0.579861D+01  0.211832D+01 -0.916575D+01  0.735487D+01  0.928936D+01
      5   0.623937D+00 -0.107311D+02  0.889055D+01 -0.174041D+01 -0.228150D+01
      6   0.131618D+01  0.154783D+02 -0.555399D+01 -0.149378D+01 -0.115451D+01
                66            67            68            69            70 
      1   0.301932D+00 -0.385844D+01 -0.160144D+02  0.416595D+01  0.109360D+01
      2   0.415524D-01  0.526545D+01  0.176422D+02 -0.181405D+01 -0.472077D+00
      3  -0.343485D+00 -0.140701D+01 -0.162774D+01 -0.235190D+01 -0.621526D+00
      4  -0.172888D+01  0.120117D+02  0.172645D+02 -0.361356D+01 -0.292297D+01
      5   0.279467D+01 -0.361654D+01 -0.383483D+01  0.380998D+01  0.193853D+01
      6   0.124438D+01 -0.283622D+01 -0.673989D+01  0.532202D+01  0.244828D+01
                71            72            73            74            75 
      1   0.302769D+01 -0.387441D+01  0.207709D+01  0.560383D+01 -0.101076D+01
      2  -0.247924D+01  0.268963D+01  0.101197D+02 -0.159675D+02  0.177080D+01
      3  -0.548451D+00  0.118479D+01 -0.121968D+02  0.103637D+02 -0.760042D+00
      4  -0.426307D+01  0.264131D+01 -0.283092D+02  0.251903D+02 -0.377065D+01
      5   0.108418D+01 -0.139119D+01  0.405481D+01 -0.388850D+01  0.405667D+01
      6   0.353534D+01 -0.269058D+01 -0.259924D+01  0.297246D+01 -0.377792D+01
                76            77            78            79            80 
      1   0.104333D+02 -0.216808D+02  0.374882D+01 -0.280300D+01  0.449791D+01
      2  -0.221478D+02  0.384419D+02 -0.473931D+01  0.576929D+01 -0.676126D+01
      3   0.117145D+02 -0.167611D+02  0.990497D+00 -0.296629D+01  0.226336D+01
      4   0.275655D+02 -0.346865D+02  0.551528D+01 -0.538532D+01  0.622914D+01
      5  -0.533925D+01  0.568008D+01 -0.441733D+01  0.701282D+00 -0.303316D+01
      6   0.595071D+01 -0.707405D+01  0.674979D+01  0.477175D+00  0.425982D+01
                81            82            83            84            85 
      1  -0.136702D+01 -0.648062D+01 -0.113428D+02  0.326578D+01 -0.878367D+01
      2   0.272239D+01  0.973562D+01  0.165596D+02 -0.332259D+01  0.116476D+02
      3  -0.135537D+01 -0.325500D+01 -0.521680D+01  0.568067D-01 -0.286395D+01
      4  -0.324850D+01  0.866336D+01  0.166429D+02 -0.372894D+01  0.987544D+01
      5   0.170258D+01 -0.145248D+01 -0.246717D+01  0.271142D+01 -0.165966D+01
      6  -0.254126D+01 -0.317194D+01 -0.495145D+01  0.370641D+01 -0.342241D+01
                86            87            88            89            90 
      1  -0.491761D+02  0.120277D+02  0.286821D+01  0.129891D+02 -0.413139D+01
      2   0.674048D+02 -0.131066D+02 -0.389832D+01 -0.163294D+02  0.479654D+01
      3  -0.182287D+02  0.107894D+01  0.103011D+01  0.334028D+01 -0.665148D+00
      4   0.220816D+02 -0.472692D+01 -0.321208D+01 -0.548083D+01  0.300347D+01
      5  -0.227781D+01  0.186099D+01  0.884903D+00  0.255785D+01 -0.147155D+01
      6  -0.173647D+02  0.111687D+02  0.677898D+00  0.672806D+01 -0.420776D+01
                91            92            93            94            95 
      1   0.875356D+00  0.579026D+01 -0.140347D+02  0.937260D+00 -0.100198D+02
      2   0.342634D+01 -0.531377D+00  0.776709D+00  0.605012D+01 -0.264929D+01
      3  -0.430169D+01 -0.525888D+01  0.132580D+02 -0.698737D+01  0.126691D+02
      4  -0.408825D+01 -0.195842D+02 -0.295548D+01 -0.234719D+02  0.291944D+02
      5  -0.285156D+00 -0.485025D+01 -0.207577D+02  0.888336D+00 -0.187705D+02
      6  -0.340751D+01  0.683883D+00  0.728372D+00 -0.422698D+01  0.371474D+01
                96            97            98            99           100 
      1  -0.145549D+01  0.864507D+00 -0.261602D+01 -0.186214D+02 -0.770408D+02
      2   0.178338D+01 -0.157683D+02  0.764926D+01  0.185346D+02  0.443072D+02
      3  -0.327892D+00  0.149038D+02 -0.503323D+01  0.868425D-01  0.327336D+02
      4  -0.215614D+02 -0.490625D+01 -0.222429D+02 -0.396549D+01  0.268199D+01
      5  -0.443813D+01 -0.599140D+02  0.239487D+01  0.192503D+02  0.406783D+02
      6   0.312691D+01  0.248629D+01 -0.167941D+01 -0.173858D+01  0.700250D-01
               101           102           103           104           105 
      1  -0.137006D+01  0.292555D+02 -0.894534D+01  0.349789D+02  0.675904D+01
      2   0.423692D+00 -0.825683D+01  0.232114D+01 -0.761840D+01 -0.205426D+01
      3   0.946368D+00 -0.209987D+02  0.662420D+01 -0.273605D+02 -0.470478D+01
      4   0.210222D+02  0.898564D+00  0.197905D+02 -0.281530D+01  0.267280D+02
      5   0.273036D+01  0.992798D+01  0.457071D+01  0.173669D+02  0.472680D+01
      6  -0.128049D+02 -0.156120D+01 -0.768569D+01 -0.265290D+01 -0.212731D+02
               106           107           108           109           110 
      1   0.673350D+01  0.508682D+01  0.182832D+02 -0.550068D+02 -0.220850D+02
      2   0.144986D+02 -0.393808D+01 -0.226524D+02  0.177109D+02  0.855874D+00
      3  -0.212321D+02 -0.114875D+01  0.436924D+01  0.372959D+02  0.212292D+02
      4  -0.635205D+00  0.232409D+02  0.242732D+01 -0.394434D+02 -0.238851D+02
      5   0.380776D+02 -0.106615D+00 -0.305731D+02  0.103895D+02  0.214077D+01
      6  -0.266530D+01 -0.158648D+02 -0.416778D+01  0.158567D+01  0.362105D+01
               111           112           113           114           115 
      1   0.694281D+01 -0.300866D+02 -0.144154D+02  0.104757D+02  0.310597D+02
      2  -0.368729D+01  0.569715D+01  0.175171D+01 -0.193866D-01 -0.109771D+02
      3  -0.325552D+01  0.243895D+02  0.126637D+02 -0.104563D+02 -0.200827D+02
      4   0.552740D+01 -0.142905D+02 -0.227176D+02  0.129146D+02  0.167701D+02
      5   0.519886D+00  0.123160D+01  0.966508D+01 -0.355014D+01  0.166932D+02
      6  -0.388146D+01  0.435104D+01 -0.160361D+01 -0.778378D+00  0.207695D+01
               116           117           118           119           120 
      1   0.704288D+01  0.169079D+02  0.153131D+02 -0.124877D+02  0.691405D+01
      2  -0.261959D+00 -0.135111D+01 -0.177769D+01  0.233726D+01 -0.200784D+01
      3  -0.678092D+01 -0.155568D+02 -0.135354D+02  0.101504D+02 -0.490621D+01
      4   0.192013D+02  0.331445D+01 -0.247156D+02  0.233684D+02 -0.271257D+01
      5   0.153478D+01  0.254577D+01  0.911673D+01 -0.211716D+01  0.111183D+02
      6  -0.104842D+01 -0.211808D+01 -0.224417D+01  0.124110D+01 -0.112326D+01
               121           122           123           124           125 
      1  -0.194592D+02  0.442525D+01 -0.119646D+01  0.891595D+01  0.212101D+00
      2   0.506401D+01  0.118511D+02 -0.273002D+01 -0.323808D+01 -0.352676D+01
      3   0.143952D+02 -0.162764D+02  0.392647D+01 -0.567787D+01  0.331466D+01
      4   0.241944D+02 -0.447823D+02  0.112030D+02 -0.449680D+01  0.144901D+02
      5  -0.306393D+01  0.101978D+02 -0.109834D+02  0.139739D+02 -0.941904D+01
      6   0.131767D+01 -0.371735D+01  0.440077D+01 -0.263195D+01  0.631576D+01
               126           127           128           129           130 
      1   0.431872D+01 -0.100715D+01  0.838814D+01 -0.114186D+02  0.114344D+02
      2  -0.197260D+01 -0.536644D+00 -0.338920D+01  0.436265D+00 -0.694406D+01
      3  -0.234612D+01  0.154380D+01 -0.499894D+01  0.109823D+02 -0.449039D+01
      4  -0.101820D+02  0.428983D+01 -0.626571D+01  0.264198D+01 -0.617368D+00
      5   0.658430D+01 -0.170505D+01 -0.476266D+00 -0.499580D+01 -0.822851D+01
      6  -0.341010D+01 -0.399201D+01  0.592063D+01 -0.295329D+01  0.175492D+01
               131           132           133           134           135 
      1  -0.176252D+02  0.110518D+02 -0.574698D+01  0.719759D+01 -0.144086D+02
      2   0.578963D+01  0.321462D+01  0.176804D+01  0.175998D+01 -0.235123D+01
      3   0.118356D+02 -0.142665D+02  0.397894D+01 -0.895757D+01  0.167599D+02
      4   0.232566D+02 -0.150943D+02 -0.113019D+00 -0.111614D+02  0.944767D+01
      5  -0.106541D+02  0.160540D+02  0.276025D+01  0.714728D+01 -0.109256D+02
      6  -0.171129D+02  0.138338D+02 -0.302291D+00  0.113034D+02 -0.864723D+01
               136           137           138           139           140 
      1   0.113501D+03 -0.126450D+01 -0.209465D+02  0.239157D+01  0.587550D+01
      2  -0.681192D+02  0.486797D+00  0.192597D+02 -0.251725D+01 -0.417775D+01
      3  -0.453813D+02  0.777702D+00  0.168683D+01  0.125680D+00 -0.169776D+01
      4  -0.629356D+01  0.110915D+02  0.234826D+01  0.138846D+02  0.201008D+00
      5  -0.651965D+02  0.167297D+01  0.302850D+02 -0.233850D+01 -0.714833D+01
      6   0.273521D+01 -0.383621D+01 -0.154548D+01 -0.415874D+01 -0.367748D-01
               141           142           143           144           145 
      1  -0.938171D+00 -0.999486D+01 -0.142731D+01  0.986317D+01  0.111797D+00
      2   0.139332D+01  0.102390D+02  0.553144D+00 -0.803478D+01 -0.107376D+01
      3  -0.455149D+00 -0.244127D+00  0.874166D+00 -0.182839D+01  0.961963D+00
      4  -0.592673D+01 -0.807873D+00 -0.404306D+01  0.407428D-01 -0.410209D+01
      5   0.154707D+01  0.196820D+02  0.870967D+00 -0.930158D+01 -0.400613D+01
      6   0.432317D+01 -0.177979D-03  0.307500D+01  0.449971D+00  0.446143D+01
               146           147           148           149           150 
      1  -0.996570D+01 -0.136744D+02 -0.854900D+01 -0.217695D+02 -0.164420D+02
      2   0.423933D+01  0.209156D+01  0.575072D+01  0.101906D+02  0.253885D+00
      3   0.572637D+01  0.115829D+02  0.279828D+01  0.115789D+02  0.161881D+02
      4  -0.504951D+01 -0.251474D+01  0.285674D+01 -0.272027D+02 -0.214675D+02
      5   0.282013D-01 -0.418817D+01  0.809174D+01 -0.168202D+02 -0.214456D+02
      6   0.676693D+01  0.497796D+01  0.152633D+00  0.229479D+02  0.207728D+02
               151           152           153           154           155 
      1  -0.518780D+01 -0.119895D+02 -0.211805D+02  0.140579D+03  0.377576D+02
      2   0.236733D+01 -0.299447D+00 -0.240089D+01 -0.584573D+02 -0.897085D+01
      3   0.282048D+01  0.122890D+02  0.235814D+02 -0.821216D+02 -0.287868D+02
      4   0.274061D+01 -0.154611D+02 -0.155823D+02  0.683765D+02  0.449794D+02
      5   0.395719D+01 -0.136261D+02 -0.205766D+02  0.154752D+01  0.211810D+01
      6  -0.400471D+00  0.160593D+02  0.171099D+02 -0.212191D+01 -0.719709D+00
               156           157           158           159           160 
      1  -0.102190D+02  0.458776D+02  0.308244D+02 -0.537136D+01 -0.118171D+02
      2   0.139343D+01 -0.595349D+01  0.535532D+01 -0.152222D+01  0.216787D+01
      3   0.882555D+01 -0.399241D+02 -0.361797D+02  0.689358D+01  0.964922D+01
      4  -0.222063D+01  0.653326D+02  0.608568D+02 -0.877737D+01 -0.797312D+01
      5   0.264818D+02 -0.213837D+01 -0.393925D+01  0.157954D+02  0.291588D+02
      6   0.680355D+01  0.555442D+00  0.633765D+00  0.808059D+01  0.901061D+01
               161           162           163           164           165 
      1  -0.331539D+01  0.169609D+02  0.306647D+02  0.138053D+02  0.103080D+02
      2  -0.230210D+01 -0.804907D+01 -0.180709D+02 -0.388214D+01 -0.766569D+01
      3   0.561748D+01 -0.891185D+01 -0.125938D+02 -0.992314D+01 -0.264231D+01
      4  -0.122952D+02  0.153384D+02  0.247366D+02  0.139547D+02  0.178813D+01
      5   0.136191D+02 -0.123196D+02  0.198733D+02  0.304477D+01  0.152952D+02
      6   0.747492D+01 -0.235060D+01  0.101475D+02  0.184650D+01  0.535402D+00
               166           167           168           169           170 
      1   0.180303D+02 -0.450054D+01 -0.104163D+02 -0.652085D+01 -0.805977D+01
      2  -0.806914D+01  0.407275D+01  0.322557D+01 -0.172054D+01  0.177448D+01
      3  -0.996115D+01  0.427796D+00  0.719074D+01  0.824139D+01  0.628530D+01
      4   0.163499D+02  0.103951D+02  0.114904D+02 -0.282961D+01  0.186260D+01
      5   0.106785D+02  0.132584D+02  0.115987D+02  0.145859D+02  0.696100D+01
      6   0.361164D+01  0.914114D+01  0.128290D+02  0.130335D+01  0.102988D+02
               171           172           173           174           175 
      1  -0.256261D+02 -0.341382D+02 -0.847442D+01  0.908635D+01 -0.188814D+02
      2  -0.139191D+02  0.159894D+02  0.264086D+01  0.172888D+01  0.102050D+02
      3   0.395452D+02  0.181488D+02  0.583357D+01 -0.108152D+02  0.867636D+01
      4   0.509509D+01 -0.218255D+02 -0.100652D+02 -0.848806D+00 -0.146345D+02
      5   0.425810D+02 -0.129010D+02 -0.440668D+01 -0.101437D+02 -0.965346D+01
      6   0.127319D+02 -0.723278D+01 -0.450251D+01 -0.291274D+01 -0.479897D+01
               176           177           178           179           180 
      1  -0.974051D+01  0.326491D+01  0.183033D+01  0.127497D+01 -0.936543D+01
      2   0.459664D+01  0.251148D+01  0.381612D+01  0.268058D+00  0.161018D+01
      3   0.514387D+01 -0.577639D+01 -0.564645D+01 -0.154302D+01  0.775525D+01
      4  -0.636452D+01  0.945564D+00 -0.437258D+01 -0.395428D+00 -0.431033D+01
      5  -0.490765D+00 -0.840192D+01 -0.474491D+01 -0.194346D+01  0.240033D+01
      6  -0.300441D+01  0.117695D+01 -0.254333D+01  0.138298D+01 -0.176292D+01
               181           182           183           184           185 
      1   0.316212D+01  0.635835D+02 -0.142166D+02 -0.734437D+02  0.352906D+02
      2  -0.363957D+01 -0.425756D+02  0.368523D+01  0.481420D+02 -0.272231D+02
      3   0.477443D+00 -0.210079D+02  0.105313D+02  0.253016D+02 -0.806757D+01
      4   0.359072D+02  0.328418D+02 -0.830982D+01  0.349207D+02  0.223745D+02
      5  -0.463576D+01 -0.104832D+02  0.186171D+02 -0.101470D+01 -0.140711D+02
      6  -0.278210D+01  0.475471D+01 -0.120844D+02 -0.105310D+02  0.929090D+01
               186           187           188           189           190 
      1  -0.515153D+01  0.195094D+02 -0.141180D+02  0.239000D+01  0.153890D+03
      2   0.502680D+01 -0.206804D+02  0.138146D+02 -0.851054D+01 -0.869124D+02
      3   0.124723D+00  0.117102D+01  0.303366D+00  0.612054D+01 -0.669777D+02
      4  -0.137738D+02 -0.611128D+01 -0.153160D+02 -0.112573D+02 -0.212520D+02
      5  -0.729378D+01  0.271264D+02 -0.127741D+02  0.838138D+01  0.869050D+01
      6   0.411391D+01 -0.132284D+02  0.874319D+01  0.165028D+01  0.270611D+01
               191           192           193           194           195 
      1  -0.452152D+02  0.335151D+01  0.586321D+00 -0.288862D+02  0.128163D+02
      2   0.287204D+02 -0.138436D+01 -0.480875D+01  0.288492D+02 -0.149186D+02
      3   0.164948D+02 -0.196715D+01  0.422243D+01  0.369167D-01  0.210234D+01
      4   0.331045D+02 -0.447102D+01 -0.272004D+02 -0.592070D+02  0.145431D+02
      5  -0.569257D+01  0.980250D+01  0.169581D+02  0.150263D+02 -0.530609D+01
      6   0.411095D+00  0.590224D+01  0.566173D+01 -0.988473D+01 -0.261312D+01
               196           197           198           199           200 
      1  -0.336282D+01  0.148797D+02  0.216043D+02 -0.117340D+03  0.135167D+02
      2   0.341336D+01 -0.119912D+02 -0.196405D+02  0.574021D+02 -0.493548D+01
      3  -0.505356D-01 -0.288856D+01 -0.196381D+01  0.599381D+02 -0.858122D+01
      4   0.199625D+02  0.939601D+01 -0.626488D+01  0.158524D+02 -0.350024D+02
      5   0.469937D+02 -0.125185D+02  0.192423D+01 -0.460689D+01  0.145994D+02
      6  -0.117877D+01  0.736062D+01  0.408860D+01  0.652711D+01 -0.181002D+01
               201           202           203           204           205 
      1   0.331457D+01  0.931472D+02 -0.170578D+02 -0.435244D+01 -0.150524D+02
      2  -0.228138D+01 -0.592386D+02  0.114353D+01  0.639431D+01  0.124914D+02
      3  -0.103319D+01 -0.339087D+02  0.159142D+02 -0.204187D+01  0.256096D+01
      4   0.103623D+02 -0.125024D+02  0.279791D+02  0.390870D+01  0.571358D+01
      5   0.862576D+00  0.444452D+01  0.285859D+01  0.109061D+02  0.533461D+01
      6  -0.377400D+00  0.601875D+01  0.115528D+02  0.488832D+01  0.213064D+01
               206           207           208           209           210 
      1   0.169777D+01 -0.157906D+02 -0.107094D+02  0.393293D+02 -0.582201D+01
      2   0.672494D+01 -0.241824D+01  0.441454D+01 -0.241488D+02  0.232017D+01
      3  -0.842271D+01  0.182088D+02  0.629489D+01 -0.151806D+02  0.350183D+01
      4   0.100812D+02  0.226402D+02  0.292622D+02  0.256175D+01  0.350508D+01
      5   0.239042D+02 -0.143226D+02 -0.798193D+01  0.409499D+01  0.235256D+02
      6   0.123369D+02 -0.140894D+01  0.440085D+00 -0.116041D+01 -0.695401D+01
               211           212           213           214           215 
      1   0.651052D+01  0.930907D+01 -0.367206D+01  0.546708D+00 -0.387575D+01
      2  -0.520339D+00 -0.292998D+01  0.543490D+01  0.951960D+00  0.363795D+01
      3  -0.599018D+01 -0.637909D+01 -0.176284D+01 -0.149867D+01  0.237799D+00
      4   0.317539D+02  0.115641D+02 -0.601278D+01 -0.670346D+01 -0.500419D+00
      5  -0.752744D+01 -0.512222D+01 -0.124810D+02  0.102555D+02  0.456365D+01
      6  -0.130275D+01  0.200250D+01  0.814007D+01  0.225832D+01  0.250412D+01
               216           217           218           219           220 
      1   0.281674D+01 -0.811011D+02 -0.425133D+02  0.149565D+02 -0.540539D+02
      2  -0.188503D+01  0.477444D+02  0.212854D+02 -0.776008D+01  0.269735D+02
      3  -0.931712D+00  0.333568D+02  0.212279D+02 -0.719641D+01  0.270804D+02
      4   0.630685D+01 -0.406952D+02  0.114018D+02  0.242432D+01 -0.159940D+02
      5  -0.171557D+01  0.143655D+02  0.266379D+01 -0.743991D+01  0.740355D+01
      6  -0.296324D+01 -0.129859D+01 -0.999942D+00  0.182353D+01  0.225336D+01
               221           222           223           224           225 
      1   0.103224D+02  0.110419D+02  0.163370D+02  0.832696D+01  0.239096D+01
      2  -0.986016D+01 -0.130599D+02 -0.404349D+01 -0.104100D+02 -0.165736D+01
      3  -0.462206D+00  0.201798D+01 -0.122935D+02  0.208309D+01 -0.733605D+00
      4   0.316131D+02  0.227192D+02  0.544714D+01  0.166422D+02  0.427717D+02
      5   0.229802D+02  0.673744D+02 -0.249095D+02  0.465363D+02 -0.410378D+02
      6  -0.890319D+01 -0.191832D+02  0.103913D+02 -0.145655D+02  0.773572D+01
               226           227           228           229           230 
      1  -0.735467D+01 -0.159007D+02  0.452879D+01 -0.776194D+01 -0.446101D+02
      2   0.718897D+01  0.147319D+02 -0.301656D+01  0.735023D+01  0.505323D+02
      3   0.165704D+00  0.116878D+01 -0.151223D+01  0.411706D+00 -0.592221D+01
      4   0.250303D+00  0.518765D+01 -0.799074D+00  0.247570D+01 -0.960971D+01
      5   0.227554D+00 -0.529703D+00  0.110808D+01  0.610760D-01  0.381369D+01
      6  -0.235753D+01 -0.418176D+01  0.290377D+01 -0.206604D+01 -0.149818D+02
               231           232           233           234           235 
      1   0.112310D+02  0.266254D+01  0.121547D+02 -0.409125D+01  0.328209D+02
      2  -0.938601D+01 -0.229620D+01 -0.121968D+02  0.385370D+01 -0.106008D+02
      3  -0.184496D+01 -0.366334D+00  0.421259D-01  0.237558D+00 -0.222201D+02
      4   0.262849D+01 -0.511309D-02  0.270069D+01  0.103137D+01 -0.306311D+02
      5  -0.241502D+01  0.161356D+01 -0.282301D+00 -0.193906D+00  0.582103D+01
      6   0.924080D+01  0.662991D+00  0.571142D+01 -0.364268D+01 -0.212143D+01
               236           237           238           239           240 
      1  -0.130378D+02  0.134605D+01 -0.155909D+02  0.436737D+01 -0.869857D+00
      2   0.154756D+00 -0.237097D+00 -0.324100D+01  0.149458D+02 -0.808240D+00
      3   0.128830D+02 -0.110895D+01  0.188319D+02 -0.193132D+02  0.167810D+01
      4   0.250064D+02 -0.364510D+01  0.370942D+02 -0.424810D+02  0.672719D+01
      5  -0.473178D+01  0.373994D+01 -0.883929D+01  0.869533D+01 -0.619010D+01
      6   0.217052D+01 -0.211144D+01  0.539580D+01 -0.641944D+01  0.536372D+01
               241           242           243           244           245 
      1   0.150893D+01 -0.794603D+00 -0.131981D+01  0.521993D+01  0.862968D+01
      2   0.219574D+01 -0.254324D+01  0.159542D+01  0.238701D+01  0.587350D+00
      3  -0.370467D+01  0.333784D+01 -0.275614D+00 -0.760695D+01 -0.921702D+01
      4  -0.776782D+01  0.827295D+01 -0.321083D+01  0.245562D+02  0.227820D+02
      5   0.576380D-01 -0.289568D+01  0.203465D+01 -0.574749D+01 -0.482959D+01
      6  -0.276774D+00  0.274507D+01 -0.184996D+01 -0.289944D+01 -0.264533D+01
               246           247           248           249           250 
      1  -0.207133D+01  0.599461D+01 -0.842889D+01  0.198717D+01 -0.158745D+01
      2   0.735578D+00  0.624187D+01  0.233585D+02 -0.306297D+01 -0.394391D+00
      3   0.133575D+01 -0.122365D+02 -0.149296D+02  0.107580D+01  0.198184D+01
      4  -0.587637D+01  0.303859D+02  0.496935D+02 -0.118524D+02 -0.837716D+01
      5   0.518281D+01 -0.657688D+01 -0.100863D+02  0.830873D+01  0.427027D+01
      6   0.270590D+01 -0.457089D+01 -0.880889D+01  0.738611D+01  0.367724D+01
               251           252           253           254           255 
      1   0.137333D+01 -0.106235D+01  0.441887D+01 -0.742435D+01 -0.120850D+02
      2  -0.439229D+01  0.240192D+01 -0.128680D+01  0.410746D+01  0.596732D+01
      3   0.301896D+01 -0.133957D+01 -0.313207D+01  0.331689D+01  0.611772D+01
      4  -0.135945D+02  0.485942D+01 -0.454321D+01  0.648622D-01  0.205004D+01
      5   0.282477D+01 -0.293510D+01 -0.107887D+02  0.116334D+01 -0.306203D+01
      6   0.401449D+01 -0.351581D+01  0.311286D+01  0.778037D+00  0.197489D+01
               256           257           258           259           260 
      1  -0.173536D+02  0.755724D+00 -0.129809D+01 -0.271732D+02  0.130702D+01
      2   0.456522D+01  0.123166D+02  0.553147D+01  0.122083D+02  0.351445D+01
      3   0.127884D+02 -0.130723D+02 -0.423338D+01  0.149649D+02 -0.482147D+01
      4   0.317069D+02 -0.553053D+02 -0.297520D+02  0.196545D+02 -0.316526D+02
      5   0.140774D+02 -0.305478D+02 -0.322689D+02  0.226996D+02 -0.320150D+02
      6  -0.684829D+01  0.140932D+02  0.128530D+02 -0.815268D+01  0.136987D+02
               261           262           263           264           265 
      1  -0.130762D+01  0.128290D+02 -0.280349D+01  0.142532D+02 -0.566711D+01
      2  -0.685899D+00 -0.798854D+01  0.170998D+01 -0.644189D+01  0.189974D+01
      3   0.199352D+01 -0.484044D+01  0.109350D+01 -0.781129D+01  0.376737D+01
      4  -0.297829D+02 -0.245370D+01  0.270377D+00 -0.586671D+01  0.185647D+02
      5  -0.332638D+02  0.155186D+02 -0.507423D+01  0.461795D+01 -0.133364D+02
      6   0.125766D+02 -0.364496D+01  0.105090D+01  0.765874D-01  0.405457D+01
               266           267           268           269           270 
      1   0.311953D+01 -0.419886D+01  0.391326D+02 -0.788438D+01  0.766461D+01
      2   0.924035D+00  0.138152D+01 -0.244439D+02  0.435921D+01 -0.142111D+02
      3  -0.404356D+01  0.281734D+01 -0.146887D+02  0.352518D+01  0.654652D+01
      4  -0.214851D+02  0.157857D+02 -0.209342D+02  0.200177D+02 -0.258927D+02
      5   0.165450D+02 -0.267727D+02  0.415643D+02 -0.291838D+02  0.764806D+02
      6  -0.579878D+01  0.106484D+02 -0.935370D+01  0.109763D+02 -0.167015D+02
               271           272           273           274           275 
      1   0.200067D+03  0.189320D+02 -0.144323D+02  0.592825D+02  0.205790D+02
      2  -0.106054D+03 -0.110411D+02  0.825847D+01 -0.322972D+02 -0.104763D+02
      3  -0.940129D+02 -0.789094D+01  0.617388D+01 -0.269853D+02 -0.101027D+02
      4   0.154990D+02  0.157304D+02 -0.957729D+00  0.241886D+02  0.146491D+02
      5  -0.151557D+02 -0.113782D+01  0.182708D+02 -0.404707D+01 -0.463509D+01
      6   0.219969D+01  0.753304D-01 -0.103035D+01  0.173245D+00  0.601787D+00
               276           277           278           279 
      1  -0.470114D+01 -0.239605D+02 -0.295437D+01  0.185576D+02
      2   0.323184D+01  0.135241D+02  0.251618D+01 -0.110964D+02
      3   0.146930D+01  0.104365D+02  0.438194D+00 -0.746118D+01
      4  -0.458600D+01 -0.174083D+01 -0.533181D+01 -0.107172D+01
      5   0.462695D+01  0.261681D+02 -0.113737D+01 -0.356097D+01
      6   0.152610D+01 -0.124166D+01  0.244616D+01 -0.200450D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.199435D+01      0.506914D+01      0.169088D+02
   y          0.571605D+00      0.145287D+01      0.484627D+01
   z          0.345983D+00      0.879402D+00      0.293337D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.274146D+03      0.406242D+02      0.452006D+02
   yx        -0.138067D+02     -0.204594D+01     -0.227641D+01
   yy         0.162745D+03      0.241164D+02      0.268331D+02
   zx        -0.823187D+01     -0.121984D+01     -0.135725D+01
   zy        -0.103439D+02     -0.153281D+01     -0.170548D+01
   zz         0.113472D+03      0.168148D+02      0.187090D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.199519D+03      0.295656D+02      0.328962D+02
   aniso      0.157562D+03      0.233482D+02      0.259784D+02
   xx         0.296682D+03      0.439637D+02      0.489162D+02
   yx        -0.169815D+02     -0.251639D+01     -0.279986D+01
   yy         0.177762D+03      0.263416D+02      0.293090D+02
   zx        -0.796957D+01     -0.118097D+01     -0.131400D+01
   zy        -0.111021D+02     -0.164517D+01     -0.183050D+01
   zz         0.124112D+03      0.183915D+02      0.204633D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.02064422         -0.90707113          0.92433595
     6          0.29799910          1.29262756          2.45517971
     6         -0.79111718         -0.63076508         -1.61612003
     6         -1.23436076          1.70799721         -2.66022976
     6         -0.90596916          3.87883470         -1.12724036
     6         -0.16883850          3.68343637          1.34444199
     6          0.44876481         -3.29199181          2.02312660
     1         -1.02378559         -2.32195680         -2.75048061
     1         -1.25383109          5.72537254         -1.94061820
     1          0.06938850          5.36626651          2.48432395
     6         -2.11526311          1.97671064         -5.37029115
     6         -4.85555211          1.12855166         -5.73618687
     6         -0.36798204          0.67575731         -7.28292117
     1         -1.99150682          3.98402550         -5.86765842
     1         -5.06386510         -0.86953240         -5.27920243
     1         -5.44215984          1.40038669         -7.68833598
     1         -6.09590511          2.20775896         -4.49512796
     8         -1.08109917         -0.25381863         -9.22007182
     8          2.12718921          0.72793364         -6.72331029
     1          2.36097213          1.35135007         -5.01753061
     6          1.19166424         -3.51819408          4.49473538
     6          1.50416040         -1.33181816          6.00282811
     6          1.06302996          1.02301370          4.98795886
     8          2.23511561         -1.40618548          8.46480390
     6          2.71681305         -3.78418175          9.60339744
     1          0.21493645         -4.97201390          0.87784433
     1          1.53446680         -5.37165096          5.27482479
     1          1.31272682          2.67370420          6.16906134
     1          4.25898473         -4.77975437          8.65402108
     1          1.02923267         -4.97702780          9.60823917
     1          3.26449527         -3.37777783         11.54119069

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.210330D+01      0.534607D+01      0.178326D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.124841D+03      0.184996D+02      0.205835D+02
   yx        -0.145924D+02     -0.216237D+01     -0.240596D+01
   yy         0.174560D+03      0.258671D+02      0.287810D+02
   zx         0.439368D+02      0.651076D+01      0.724420D+01
   zy        -0.310115D+02     -0.459543D+01     -0.511311D+01
   zz         0.250962D+03      0.371888D+02      0.413781D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.199519D+03      0.295656D+02      0.328962D+02
   aniso      0.157562D+03      0.233482D+02      0.259784D+02
   xx         0.136202D+03      0.201831D+02      0.224567D+02
   yx        -0.162660D+02     -0.241038D+01     -0.268191D+01
   yy         0.191355D+03      0.283559D+02      0.315501D+02
   zx         0.467109D+02      0.692184D+01      0.770159D+01
   zy        -0.351600D+02     -0.521017D+01     -0.579710D+01
   zz         0.270999D+03      0.401578D+02      0.446816D+02

 ----------------------------------------------------------------------
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 LIFE IS SO UNCERTAIN - EAT DESSERT FIRST.
 Job cpu time:       1 days 19 hours  1 minutes 39.7 seconds.
 Elapsed time:       0 days  5 hours 23 minutes  0.3 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 02:40:56 2021.
